SCHEMBL984802

SCHEMBL984802

Clc1cccc(Oc2cc[c]cc2Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.47
HTR2A P28223 1/20 0.47
KCNH2 Q12809 1/20 0.47
RHEB Q15382 4/20 0.44
SLC6A2 P23975 2/20 0.43
SLC6A3 Q01959 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
LMNA P02545 1/20 0.40
HTR1A P08908 1/20 0.40
CYP19A1 P11511 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
ERBB3 P21860 1/20 0.39
ERBB4 Q15303 1/20 0.39
AR P10275 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL2333939 0.84 EGFR (0.39) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL2261309 0.84 SLC6A4 (0.48) SLC6A4HTR2AKCNH2RHEBSLC6A2
SCHEMBL693499 0.84 SLC6A4 (0.48) SLC6A4HTR2AKCNH2RHEBSLC6A2
SCHEMBL231083 0.82 DPP4 (0.43) SLC6A4HTR2AMRGPRX4LMNAL3MBTL1
SCHEMBL9686248 0.81 SLC6A4 (0.44) SLC6A4HTR2AKCNH2RHEBSLC6A2
SCHEMBL985888 0.80 EGFR (0.44) MRGPRX4EGFRERBB2ERBB3ERBB4
SCHEMBL984918 0.80 STK39 (0.44) SLC6A4HTR2AKCNH2L3MBTL1EGFR
SCHEMBL1375267 0.79 MAPT (0.42) SLC6A4HTR2AKCNH2RHEBSLC6A2
SCHEMBL2329133 0.77 TTR (0.55) SLC6A4KCNH2RHEBSLC6A2SLC6A3
SCHEMBL919571 0.77 AR (0.44) SLC6A4HTR2AKCNH2RHEBSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1134439-C Pyrrolo [2,3D ] pyrimidines and their use as tyrosine kinase inhibitors 艾博特股份有限两合公司 2004-01-14 CN claimed
EP-0970084-B1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AG (DE) 2003-06-04 EP claimed
CN-1259950-A Pyrrolo [2,3D] pyrimidines and their use as tyrosine kinase inhibitors BASF AG (DE) 2000-07-12 CN claimed
EP-0970084-A1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-01-12 EP claimed
US-6001839-A Substituted 4-amino-7H-pyrrolo [2,3,-d]-pyrimidines as PTK inhibitors BASF AKTIENGESELLSCHAFT (DE) 1999-12-14 US claimed
WO-1998041525-A1 PYRROLO[2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO claimed
EP-2359825-A2 Combination drug Takeda Pharmaceutical Company Limited (JP) 2011-08-24 EP disclosed
US-20110003805-A1 CONCOMITANT DRUG TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 US disclosed
EP-2255830-A1 CONCOMITANT DRUG Takeda Pharmaceutical Company Limited (JP) 2010-12-01 EP disclosed
US-7825127-B2 Method for treating cancer TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2010-11-02 US disclosed
US-20100008912-A1 COMBINATION DRUG TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-14 US disclosed
CN-101553222-A Combination drug TAKEDA PHARMACEUTICAL (JP) 2009-10-07 CN disclosed
EP-2063895-A2 COMBINATION DRUG Takeda Pharmaceutical Company Limited (JP) 2009-06-03 EP disclosed
WO-2008044782-A2 COMBINATION DRUG TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-04-17 WO disclosed
CN-1134439-C Pyrrolo [2,3D ] pyrimidines and their use as tyrosine kinase inhibitors 艾博特股份有限两合公司 2004-01-14 CN disclosed
EP-0970084-B1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AG (DE) 2003-06-04 EP disclosed
CN-1259950-A Pyrrolo [2,3D] pyrimidines and their use as tyrosine kinase inhibitors BASF AG (DE) 2000-07-12 CN disclosed
EP-0970084-A1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-01-12 EP disclosed
US-6001839-A Substituted 4-amino-7H-pyrrolo [2,3,-d]-pyrimidines as PTK inhibitors BASF AKTIENGESELLSCHAFT (DE) 1999-12-14 US disclosed
WO-1998041525-A1 PYRROLO[2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 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 (2 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-20100008912-A1 COMBINATION DRUG ERBB2, ERBB3, ERBB4 SLC6A4 2018/4885HTR2A 965/4885KCNH2 4653/4885
US-20110003805-A1 CONCOMITANT DRUG ERBB2, MTOR, ERBB4 SLC6A4 640/4885HTR2A 819/4885KCNH2 4694/4885

“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.