SCHEMBL474102

SCHEMBL474102

COc1ccc(Cl)c(CBr)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.46
SLC6A4 P31645 5/20 0.46
KCNH2 Q12809 3/20 0.46
IDO1 P14902 2/20 0.42
ADRA1A P35348 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CASR P41180 1/20 0.41
HTR1A P08908 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GFER P55789 1/20 0.40
P2RX7 Q99572 2/20 0.40
P2RY12 Q9H244 1/20 0.40

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
SCHEMBL27955325 0.85 SLC6A4 (0.44) HTR2ASLC6A4KCNH2IDO1ADRA1A
SCHEMBL473882 0.84 SLC6A4 (0.46) HTR2ASLC6A4KCNH2ADRA1ATAAR1
SCHEMBL29976707 0.84 SLC6A4 (0.46) HTR2ASLC6A4KCNH2ADRA1ATAAR1
SCHEMBL8865831 0.82 SLC6A4 (0.42) HTR2ASLC6A4KCNH2ADRA1ATAAR1
SCHEMBL3761927 0.82 L3MBTL1 (0.54) HTR2ASLC6A4KCNH2IDO1ADRA1A
SCHEMBL9144848 0.82 ALDH1A1 (0.53) HTR2ASLC6A4KCNH2IDO1ADRA1A
SCHEMBL2060421 0.81 HTR2A (0.47) HTR2AIDO1ADRA1ATAAR1
SCHEMBL21139130 0.81 GAA (0.53) HTR2ASLC6A4KCNH2TAAR1CASR
SCHEMBL661988 0.80 L3MBTL1 (0.47) SLC6A4HTR1ATDP1ALDH1A1
SCHEMBL24252449 0.80 SLC6A4 (0.46) HTR2ASLC6A4KCNH2IDO1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118791436-A 2-Aminopyrimidine derivative and preparation method and application thereof 中国科学院上海药物研究所 2024-10-18 CN disclosed
CN-107434789-B Benzotriazole derivatives, preparation method thereof, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2021-04-13 CN disclosed
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
EP-2155192-B1 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS STERIX LTD (GB) 2016-09-28 EP disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 US disclosed
WO-1999054284-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-28 WO disclosed
CN-1045291-C Therapeutic agents BOOTS CO PLC (GB) 1999-09-29 CN disclosed
EP-0633259-B1 Sulfonylaminopyrimidines, their preparation and their use as medicine HOFFMANN LA ROCHE (CH) 1999-01-13 EP disclosed
EP-0618900-B1 SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AG (DE) 1997-03-12 EP disclosed
US-5541186-A ENDOTHELIN RECEPTOR INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1996-07-30 US disclosed
US-5519034-A ANALGESICS THE BOOTS COMPANY PLC (GB) 1996-05-21 US disclosed
EP-0633259-A1 Sulfonylaminopyrimidines, their preparation and their use as medicine F. HOFFMANN-LA ROCHE AG (CH) 1995-01-11 EP disclosed
CN-1096780-A Therapeutic agents containing novel tetrahydroisoquinoline compounds BOOTS CO PLC (GB) 1994-12-28 CN disclosed
EP-0618900-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS. BOOTS CO PLC (GB) 1994-10-12 EP disclosed
WO-1993013073-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1993-07-08 WO 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 (1 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-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP HTR2A 1742/4885SLC6A4 2827/4885KCNH2 426/4885

“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.