SCHEMBL4031086

SCHEMBL4031086

c1csc(-c2ncn[nH]2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
S1PR2 O95136 1/20 0.47
KDM4E B2RXH2 5/20 0.43
HPGD P15428 5/20 0.43
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
IDO1 P14902 3/20 0.43
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ENPP2 Q13822 1/20 0.41
GAA P10253 3/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
MAPK1 P28482 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
SCHEMBL3744556 0.69 IDO1 (0.50) KDM4EALDH1A1IDO1ENPP2CYP3A4
SCHEMBL13628739 0.68 COMT (0.44) KDM4EHPGDALDH1A1NPC1RAB9A
SCHEMBL1849836 0.68 POLB (0.44) POLBKDM4EHPGDALDH1A1NPC1
SCHEMBL11655 0.68 NISCH (0.48) POLBKDM4EHPGDALDH1A1NPC1
SCHEMBL8006193 0.67 KDM4E (0.46) POLBKDM4EHPGDALDH1A1NPC1
SCHEMBL16291133 0.67 L3MBTL1 (0.57) POLBKDM4EHPGDALDH1A1NPC1
SCHEMBL3545 0.67 L3MBTL1 (0.57) POLBKDM4EHPGDALDH1A1NPC1
SCHEMBL28591996 0.66 KDM4E (0.52) POLBKDM4EHPGDALDH1A1NPC1
SCHEMBL2721372 0.66 IDO1 (0.60) KDM4EALDH1A1IDO1MEN1KMT2A
SCHEMBL3777889 0.65 IDO1 (0.53) KDM4EIDO1ENPP2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 POLB 2618/4885S1PR2 3462/4885KDM4E 2435/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 POLB 2324/4885S1PR2 3456/4885KDM4E 2238/4885

“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.