SCHEMBL415486

SCHEMBL415486

COC(=O)c1cn(-c2ccc(F)cn2)nc1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
ALDH1A1 P00352 2/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
CA12 O43570 4/20 0.54
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
CA9 Q16790 4/20 0.54
CDK2 P24941 5/20 0.46
CDK1 P06493 1/20 0.45
CDK4 P11802 1/20 0.45
CDK7 P50613 1/20 0.45
CDK6 Q00534 1/20 0.45
CDK5 Q00535 1/20 0.45
RAB9A P51151 2/20 0.44
AURKA O14965 1/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL415320 0.87 ALDH1A1 (0.51) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL12264890 0.79 MAPT (1.00) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL1959438 0.71 GABRA5 (0.35) MAPTMAPK1KMT2AMEN1L3MBTL1
SCHEMBL22331098 0.71 NPSR1 (0.73) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL12552146 0.71 FAAH (0.46) MAPTALDH1A1MAPK1L3MBTL1CA12
SCHEMBL416852 0.70 NPC1 (0.41) MAPTALDH1A1MAPK1CA12CA9
SCHEMBL23928591 0.69 CA12 (0.82) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL415272 0.69 TRPV4 (0.37) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL30864224 0.69 MEN1 (0.60) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL30367362 0.68 TYK2 (0.46) MAPTALDH1A1KMT2AMEN1RAB9A

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-2410858-B1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2016-09-07 EP disclosed
US-8946231-B2 P2X3, receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
EP-2410858-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2012-02-01 EP disclosed
US-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2012-01-26 US disclosed
WO-2010111059-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 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-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 MAPT 3986/4885ALDH1A1 2798/4885MAPK1 2614/4885

“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.