SCHEMBL1422905

SCHEMBL1422905

COc1ccc2[nH]c(-c3ccc(F)nc3)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
KMT2A Q03164 4/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
MAPT P10636 3/20 0.59
MEN1 O00255 3/20 0.59
CNR1 P21554 1/20 0.56
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
ITK Q08881 3/20 0.48
AXL P30530 1/20 0.48
CCNT1 O60563 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47

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
SCHEMBL1484046 0.89 ITK (0.56) KDM4EKMT2ANPC1RAB9AMAPT
SCHEMBL1484069 0.83 CYP1A1 (0.57) KDM4EMAPTITKALDH1A1HPGD
SCHEMBL1422556 0.82 MAPT (0.50) KDM4EKMT2ANPC1RAB9AMAPT
SCHEMBL1483699 0.82 KDM4E (0.57) KDM4EKMT2ANPC1RAB9AMAPT
SCHEMBL6118259 0.81 KDM4E (0.72) KDM4EKMT2ANPC1RAB9AMAPT
SCHEMBL4264688 0.81 KDM4E (0.81) KDM4EKMT2ANPC1RAB9AMAPT
SCHEMBL1484054 0.79 CDK5 (0.59) FLT3PDGFRB
SCHEMBL13577818 0.79 CYP1A1 (0.50) KDM4EKMT2ANPC1RAB9AMAPT
SCHEMBL1484234 0.79 CYP19A1 (0.56) MAPTCNR1
SCHEMBL15060416 0.79 KDM4E (0.68) KDM4EKMT2ANPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110076230-A1 Novel Substituted Indoles MERCK & CO. INC. 2011-03-31 US claimed
US-20110076230-A1 Novel Substituted Indoles MERCK & CO. INC. 2011-03-31 US disclosed
US-20110076230-A1 Novel Substituted Indoles MERCK & CO. INC. 2011-03-31 US disclosed
US-20110076230-A1 Novel Substituted Indoles MERCK & CO. INC. 2011-03-31 US disclosed
EP-2296474-A1 NOVEL SUBSTITUTED INDOLES Merck Sharp & Dohme Corp. (US) 2011-03-23 EP disclosed
WO-2009155024-A1 NOVEL SUBSTITUTED INDOLES MERCK & CO., INC. (US) 2009-12-23 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-20110076230-A1 Novel Substituted Indoles APP, BACE1, PSEN1 KDM4E 1666/4885KMT2A 2904/4885NPC1 228/4885

“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.