SCHEMBL419646

SCHEMBL419646

O=C(NCCc1ccc(Br)cc1)C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.50
PLAAT3 P53816 1/20 0.49
PLAAT5 Q96KN8 1/20 0.49
PLAAT2 Q9NWW9 1/20 0.49
PLAAT4 Q9UL19 1/20 0.49
TAAR1 Q96RJ0 1/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FPR2 P25090 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MLYCD O95822 1/20 0.44
MGLL Q99685 1/20 0.44
GRK2 P25098 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2549950 0.90 POLB (0.53) CNR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL6433557 0.84 KDM4E (0.61) PLAAT3PLAAT5PLAAT2PLAAT4POLB
SCHEMBL4179064 0.84 HPGD (0.57) CNR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1094537 0.83 CNR1 (0.57) CNR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4702861 0.83 ALDH1A1 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4POLB
SCHEMBL4700346 0.83 ESRRG (0.54) POLBALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL5553483 0.83 PLAAT3 (0.58) CNR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL14141265 0.83 NPC1 (0.59) CNR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL6275214 0.83 SMN1; SMN2 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4POLB
SCHEMBL17509881 0.83 POLB (0.57) CNR1PLAAT3PLAAT5PLAAT2PLAAT4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110938076-B Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2021-08-10 CN disclosed
US-11084824-B2 Pyrazolopyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating cancer, autoimmune disease and brain disease containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-08-10 US disclosed
US-11084824-B2 Pyrazolopyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating cancer, autoimmune disease and brain disease containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-08-10 US disclosed
CN-112898308-A Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2021-06-04 CN disclosed
EP-3190113-B1 PYRROLOPYRIMIDINE COMPOUNDS USED AS TLR7 AGONIST CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2021-05-19 EP disclosed
EP-3190113-B1 PYRROLOPYRIMIDINE COMPOUNDS USED AS TLR7 AGONIST CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2021-05-19 EP disclosed
CN-110759916-B Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2021-02-19 CN disclosed
US-20200199129-A1 PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR USE IN PREVENTING OR TREATING CANCER, AUTOIMMUNE DISEASE AND BRAIN DISEASE CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-06-25 US disclosed
US-20200199129-A1 PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR USE IN PREVENTING OR TREATING CANCER, AUTOIMMUNE DISEASE AND BRAIN DISEASE CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-06-25 US disclosed
CN-110938076-A Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2020-03-31 CN disclosed
US-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AMGEN INC. 2006-02-02 US disclosed
EP-1594856-A1 CB 1/CB 2 RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AstraZeneca AB (SE) 2005-11-16 EP disclosed
US-20040242455-A1 5-amidino-n-(2-aminophenethyl)-n-hydroxy-benzenesulffonamide derivative, medical composition containing the same, pharmaceutical use thereof and intermediate therefor KISSEI PAHRMACEUTICAL CO., LTD. (JP) 2004-12-02 US disclosed
WO-2004060882-A1 CB 1/CB 2 RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2004-07-22 WO disclosed
US-20040122047-A1 Substituted tetrahydroisoquinolines AVENTIS PHARMA LIMITED (GB) 2004-06-24 US disclosed
EP-1415983-A1 5-AMIDINO-N-(2-AMINOPHENETHYL)-HYDROXYBENZENESULFONAMIDE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND INTERMEDIATE THEREFOR Kissei Pharmaceutical Co., Ltd. (JP) 2004-05-06 EP disclosed
EP-1392306-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES FOR USE IN THE TREATMENT OF INFLAMMATORY DISEASES Aventis Pharma Limited (GB) 2004-03-03 EP disclosed
US-6627651-B1 Exhibiting preventive and therapeutic effects against HIV infectious diseases wherein R1 is an optionally substituted five- or six-membered ring group; X1 is a free valency or the like; W is a divalent group and inhibitors of HIV (human TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-30 US disclosed
WO-2002098426-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES FOR USE IN THE TREATMENT OF INFLAMMATORY DISEASES AVENTIS PHARMA LIMTIED (GB) 2002-12-12 WO disclosed
EP-1182195-A1 CYCLIC COMPOUNDS AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-02-27 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11084824-B2 Pyrazolopyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating cancer, autoimmune disease and brain disease containing the same as an active ingredient BTK, SYK, LCK CNR1 3735/4885PLAAT3 2902/4885PLAAT5 1838/4885
US-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AADAC, PTGES2, LTC4S CNR1 87/4885PLAAT3 346/4885PLAAT5 350/4885
US-20040122047-A1 Substituted tetrahydroisoquinolines VCAM1, ITGA1, ITGB3 CNR1 296/4885PLAAT3 2091/4885PLAAT5 3833/4885
US-20200199129-A1 PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR USE IN PREVENTING OR TREATING CANCER, AUTOIMMUNE DISEASE AND BRAIN DISEASE CONTAINING THE SAME AS AN ACTIVE INGREDIENT BTK, SYK, LCK CNR1 3735/4885PLAAT3 2902/4885PLAAT5 1838/4885
US-20040242455-A1 5-amidino-n-(2-aminophenethyl)-n-hydroxy-benzenesulffonamide derivative, medical composition containing the same, pharmaceutical use thereof and intermediate therefor F11, F2, F7 CNR1 925/4885PLAAT3 1564/4885PLAAT5 924/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.