SCHEMBL2855037

SCHEMBL2855037

CCNC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.78
ALDH1A1 P00352 1/20 0.78
TP53BP1 Q12888 1/20 0.64
TAS1R3 Q7RTX0 1/20 0.63
TAS1R1 Q7RTX1 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
HDAC3 O15379 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC2 Q92769 1/20 0.62
TP53 P04637 1/20 0.60
MRGPRX4 Q96LA9 1/20 0.59
P2RX1 P51575 1/20 0.59
LMNA P02545 1/20 0.59
CES2 O00748 1/20 0.59
DDR1 Q08345 2/20 0.58
GPR139 Q6DWJ6 1/20 0.57
GAA P10253 1/20 0.57

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
SCHEMBL30739602 1.00 POLB (0.78) POLBALDH1A1TP53BP1TAS1R3TAS1R1
SCHEMBL6360091 0.88 POLB (1.00) POLBALDH1A1TP53BP1TAS1R3TAS1R1
SCHEMBL13155121 0.85 ALDH1A1 (0.57) POLBALDH1A1TP53BP1TAS1R3TAS1R1
SCHEMBL6359269 0.85 POLB (0.84) POLBALDH1A1TP53BP1TAS1R3TAS1R1
SCHEMBL7220582 0.84 POLB (0.82) POLBALDH1A1TP53BP1TAS1R3TAS1R1
SCHEMBL8947129 0.83 POLB (0.68) POLBALDH1A1TP53BP1TAS1R3TAS1R1
SCHEMBL27457044 0.83 POLB (0.68) POLBALDH1A1TP53BP1TAS1R3TAS1R1
SCHEMBL2430560 0.83 POLB (0.68) POLBALDH1A1TP53BP1TAS1R3TAS1R1
SCHEMBL13752959 0.83 TACR1 (0.56) POLBALDH1A1HDAC3MRGPRX4CES2
SCHEMBL2358408 0.83 POLB (0.80) POLBALDH1A1TP53BP1TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
WO-2023081666-A1 COMPOUNDS AS CCR2 MODULATORS ARIA PHARMACEUTICALS, INC. (US) 2023-05-11 WO 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-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-9974790-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2018-05-22 US disclosed
EP-3184526-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2017-06-28 EP disclosed
US-20170071947-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors INCYTE CORPORATION 2017-03-16 US disclosed
CN-103265442-B Novel pleuromutilin derivatives, as well as preparation method and anti-tumour application thereof 北京理工大学 2017-02-08 CN disclosed
EP-2426129-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2016-11-02 EP disclosed
EP-2455382-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2016-10-26 EP disclosed
CN-1043835-C Bactericide for preventing and treating plant take-all disease MONSANTO CO (US) 1999-06-30 CN disclosed
US-5849723-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1998-12-15 US disclosed
US-5834447-A THIOPHENE DERIVATIVES MONSANTO COMPANY (US) 1998-11-10 US disclosed
US-5811411-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1998-09-22 US disclosed
US-5705513-A HETEROCYCLIC FUNGICIDES WITH PYRIDINE OR FURAN RINGS MONSANTO COMPANY (US) 1998-01-06 US disclosed
US-5693667-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1997-12-02 US disclosed
US-5498630-A SUBSTITUTED BENZOTHIOPHENECARBOXAMIDES MONSANTO COMPANY (US) 1996-03-12 US disclosed
CN-1085221-A Bactericide for preventing and treating plant take-all disease MONSANTO CO (US) 1994-04-13 CN disclosed
WO-1993007751-A1 FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1993-04-29 WO disclosed
EP-0538231-A1 Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1993-04-21 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 (3 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-20170071947-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors JAK3, JAK1, JAK2 POLB 430/4885ALDH1A1 3413/4885TP53BP1 988/4885
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 POLB 1842/4885ALDH1A1 3762/4885TP53BP1 867/4885
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 POLB 1842/4885ALDH1A1 3762/4885TP53BP1 867/4885

“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.