SCHEMBL7122741

SCHEMBL7122741

COc1ccc(Nc2ccc(Nc3ncnc4ccsc34)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2C Q8TBX8 1/20 0.62
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
MAPT P10636 1/20 0.57
GRM1 Q13255 1/20 0.57
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
EGFR P00533 5/20 0.54
LCK P06239 2/20 0.54
FADS1 O60427 1/20 0.53
NCOA1 Q15788 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
CLK1 P49759 1/20 0.53
FLT1 P17948 1/20 0.52
AURKA O14965 1/20 0.52
AURKB Q96GD4 1/20 0.52
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL5468539 0.99 PIP4K2C (0.64) PIP4K2CNPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL5467050 0.97 PIP4K2C (0.62) PIP4K2CNPC1RAB9AMEN1KMT2A
SCHEMBL5314379 0.86 EGFR (0.56) PIP4K2CNPC1RAB9AMEN1KMT2A
SCHEMBL24467013 0.85 PIP4K2C (0.61) PIP4K2CNPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL5472957 0.85 EGFR (0.56) PIP4K2CNPC1RAB9AMEN1KMT2A
SCHEMBL5315196 0.83 EGFR (0.67) PIP4K2CNPC1RAB9AHTTSMN1; SMN2
SCHEMBL7890118 0.82 TEK (0.63) PIP4K2CNPC1RAB9AHTTSMN1; SMN2
SCHEMBL5316590 0.82 EGFR (0.52) PIP4K2CNPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL5472994 0.82 EGFR (0.65) PIP4K2CNPC1RAB9AHTTSMN1; SMN2
SCHEMBL5329628 0.81 MEN1 (0.65) PIP4K2CMEN1KMT2AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162795-A1 Thienopyrimidine and thienopyridine derivatives useful as anticancer agents PFIZER INC. 2003-08-28 US claimed
EP-1028964-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2000-08-23 EP claimed
WO-1999024440-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 1999-05-20 WO claimed
US-20030162795-A1 Thienopyrimidine and thienopyridine derivatives useful as anticancer agents PFIZER INC. 2003-08-28 US disclosed
US-6492383-B1 Thienopyrimidine and thienopyridine derivatives useful as anticancer agents PFIZER INC. 2002-12-10 US disclosed
EP-1028964-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2000-08-23 EP disclosed
WO-1999024440-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 1999-05-20 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-20030162795-A1 Thienopyrimidine and thienopyridine derivatives useful as anticancer agents TYMP, DPYD, HPRT1 PIP4K2C 1147/4885NPC1 2221/4885RAB9A 2707/4885

“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.