SCHEMBL4692835

SCHEMBL4692835

COc1ccc(NCc2cnc(Cl)nc2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
GAA P10253 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 2/20 0.43
APAF1 O14727 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HIF1A Q16665 2/20 0.42
CCNE1 P24864 2/20 0.42
CDK2 P24941 2/20 0.42
CYP1A2 P05177 2/20 0.42

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
SCHEMBL6205531 0.86 MAPT (0.50) MAPTGAASMN1; SMN2NPC1RAB9A
SCHEMBL16071483 0.86 DHFR (0.50) MAPTGAASMN1; SMN2NPC1RAB9A
SCHEMBL22165446 0.85 HTT (0.46) MAPTGAASMN1; SMN2NPC1RAB9A
SCHEMBL6202984 0.84 MAPT (0.42) MAPTGAASMN1; SMN2NPC1RAB9A
SCHEMBL6204478 0.84 MAPT (0.47) MAPTGAASMN1; SMN2NPC1RAB9A
SCHEMBL5744304 0.81 CXCR4 (0.49) MAPTGAASMN1; SMN2NPC1RAB9A
SCHEMBL23152791 0.80 MAOB (0.42) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL5744907 0.79 GAA (0.45) MAPTGAAMEN1KMT2AL3MBTL1
SCHEMBL24401092 0.79 MAPT (0.55) MAPTGAASMN1; SMN2NPC1RAB9A
SCHEMBL12767345 0.75 NPC1 (0.48) MAPTGAASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556384-B1 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2008-02-20 EP disclosed
EP-1556384-B1 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2008-02-20 EP disclosed
US-7115740-B2 Pyrimido compounds having antiproliferative activity HOFFMANN-LA ROCHE INC. (US) 2006-10-03 US disclosed
US-7084270-B2 Pyrimido compounds having antiproliferative activity HOFFMAN-LA ROCHE INC. (US) 2006-08-01 US disclosed
EP-1615928-A1 PYRIMIDO COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2006-01-18 EP disclosed
WO-2004089955-A1 PYRIMIDO COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2004-10-21 WO disclosed
US-20040204427-A1 Pyrimido compounds having antiproliferative activity CHEN YI (US) 2004-10-14 US disclosed
US-20040038995-A1 Pyrimido compounds having antiproliferative activity CHEN YI (US) 2004-02-26 US 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-20040204427-A1 Pyrimido compounds having antiproliferative activity FGFR3, FGFR1, FGFR4 MAPT 3675/4885GAA 1761/4885SMN1; SMN2 2014/4885
US-20040038995-A1 Pyrimido compounds having antiproliferative activity LCK, FGFR1, FGFR3 MAPT 3844/4885GAA 2112/4885SMN1; SMN2 1700/4885

“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.