SCHEMBL5408017

SCHEMBL5408017

Clc1cc(Cc2ccccc2Cl)ncn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
IDO1 P14902 2/20 0.39
PNMT P11086 1/20 0.39
KMT2A Q03164 2/20 0.39
DAO P14920 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
AR P10275 1/20 0.36
MPO P05164 1/20 0.36
ADCY10 Q96PN6 1/20 0.36
PTGER1 P34995 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35

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
SCHEMBL5402390 0.83 MPO (0.41) HTR2CHTR2BPNMTMPOPTGER1
SCHEMBL5405081 0.83 TAAR1 (0.39) IDO1KMT2ATAAR1CDC7DBF4
SCHEMBL5399905 0.83 PPARG (0.44) KMT2ATAAR1ALDH1A1ARKDM4E
SCHEMBL5412740 0.83 MEN1 (0.39) KMT2ADAOTAAR1L3MBTL1ALDH1A1
SCHEMBL5410917 0.79 EGFR (0.41) IDO1ALDH1A1ARKDM4ECDC7
SCHEMBL3913251 0.78 ALDH1A1 (0.52) HTR2BKMT2AL3MBTL1ALDH1A1
SCHEMBL5410773 0.77 MPO (0.37) KMT2AL3MBTL1ALDH1A1MPOPTGER1
SCHEMBL7395762 0.75 FLT1 (0.46) HTR2CHTR2BIDO1PNMTKMT2A
SCHEMBL3119753 0.74 PDE10A (0.48) HTR2CHTR2BIDO1PNMTKMT2A
SCHEMBL5404815 0.73 TAAR1 (0.45) KMT2ADAOTAAR1L3MBTL1KDM4E

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291730-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-06 US claimed
US-20050107609-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY 2005-05-19 US claimed
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP claimed
US-20040077669-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US claimed
EP-1366026-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-12-03 EP claimed
WO-2002024663-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-28 WO claimed
US-7291730-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-06 US disclosed
US-7291730-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-06 US disclosed
US-7291730-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-06 US disclosed
US-20050107609-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY 2005-05-19 US disclosed
US-6838463-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-04 US disclosed
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP disclosed
US-20040077669-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US disclosed
EP-1366026-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-12-03 EP disclosed
WO-2002024663-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-28 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-20050107609-A1 Pyrimidine compounds and their use TYMP, TYMS, UMPS HTR2C 837/4885HTR2B 921/4885IDO1 1097/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD HTR2C 926/4885HTR2B 1219/4885IDO1 1232/4885

“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.