SCHEMBL4630276

SCHEMBL4630276

O=C(O)Nc1cc(Br)cc2c1OCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.38
RAB9A P51151 8/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
GPR35 Q9HC97 2/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
POLB P06746 2/20 0.36
P2RX4 Q99571 1/20 0.36
KDM4E B2RXH2 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTGS2 P35354 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 2/20 0.34

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
SCHEMBL31480814 0.79 HPGD (0.39) NPC1RAB9AMEN1KMT2AGPR35
SCHEMBL1172181 0.79 HPGD (0.39) NPC1RAB9AMEN1KMT2AGPR35
SCHEMBL5215814 0.78 NPC1 (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4492453 0.75 AKR1C3 (0.43) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL31480938 0.75 AKR1C3 (0.43) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL4025660 0.73 POLB (0.57) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL11896081 0.73 NPSR1 (0.44) NPC1RAB9AMEN1KMT2AGPR35
SCHEMBL31480819 0.72 PRKCI (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8690111 0.72 RAB9A (0.38) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL4630142 0.72 KDM4E (0.41) NPC1RAB9AMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981856-A2 PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2008-10-22 EP disclosed
US-20070213367-A1 Substituted 3-cyanoquinolines as MEK inhibitors ASTRAZENECA AB 2007-09-13 US disclosed
WO-2007085833-A2 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-08-02 WO disclosed
EP-1409481-B1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-04 EP 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-20070213367-A1 Substituted 3-cyanoquinolines as MEK inhibitors NRAS, BRAF, MAPK1 NPC1 1623/4885RAB9A 1437/4885MEN1 333/4885

“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.