SCHEMBL4404567

SCHEMBL4404567

COc1ccc(F)c(C#N)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 4/20 0.40
KMT2A Q03164 1/20 0.40
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
EPAS1 Q99814 4/20 0.37
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
PIM1 P11309 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
SCHEMBL3649084 0.81 MAPT (0.40) NPC1RAB9AMAPK1L3MBTL1MAPT
SCHEMBL12804213 0.80 HTR2A (0.47) NPC1RAB9AMAPK1MAPTKMT2A
SCHEMBL31432707 0.79 LMNA (0.39) NPC1RAB9AMAPK1L3MBTL1MAPT
SCHEMBL17785344 0.78 EPAS1 (0.42) NPC1RAB9AMAPK1L3MBTL1MAPT
SCHEMBL31503799 0.78 KDM4E (0.44) NPC1RAB9AMAPK1L3MBTL1MAPT
SCHEMBL3986261 0.78 KDM4E (0.44) NPC1RAB9AL3MBTL1MAPTKMT2A
SCHEMBL31432595 0.78 EPAS1 (0.40) NPC1RAB9AMAPK1L3MBTL1MAPT
SCHEMBL4592838 0.78 ALDH1A1 (0.42) MAPK1L3MBTL1MAPTKMT2AHTR2A
SCHEMBL186647 0.77 MAPT (0.43) NPC1RAB9AMAPK1L3MBTL1MAPT
SCHEMBL13755083 0.76 MAPT (0.42) NPC1RAB9AMAPK1L3MBTL1MAPT

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-1549651-B1 PYRIMIDOPYRIMIDONES AS KINASE INHIBITORS WARNER LAMBERT CO (US) 2009-12-23 EP disclosed
US-7196090-B2 Kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-03-27 US disclosed
EP-1549651-A1 KINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-07-06 EP disclosed
WO-2004011465-A1 KINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-05 WO disclosed
US-20040019210-A1 Kinase inhibitors CHIVIKAS CONNOLLY CLEO J (US) 2004-01-29 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 (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-20040019210-A1 Kinase inhibitors CDK2, CDK1, CDK4 NPC1 2536/4885RAB9A 3575/4885MAPK1 91/4885

“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.