SCHEMBL1484630

SCHEMBL1484630

COc1ccc2[nH]c(-c3cnc4[nH]ccc4c3)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
NPC1 O15118 2/20 0.56
MAPT P10636 2/20 0.56
RAB9A P51151 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CCNA2 P20248 2/20 0.55
CDK2 P24941 2/20 0.55
CCNT1 O60563 1/20 0.55
CDK9 P50750 1/20 0.55
FGFR1 P11362 1/20 0.51
KDR P35968 1/20 0.51
BRD4 O60885 1/20 0.51
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
CDK8 P49336 3/20 0.46
AXL P30530 2/20 0.46
ITK Q08881 2/20 0.46

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
SCHEMBL1484047 0.90 KDR (0.51) KDM4ENPC1MAPTRAB9AMEN1
SCHEMBL1484246 0.83 CDK8 (0.49) KDM4ENPC1MAPTRAB9AMEN1
SCHEMBL1422756 0.81 CYP19A1 (0.52) CDK2CCNT1CDK9FGFR1KDR
SCHEMBL13577819 0.81 CDK8 (0.49) KDM4ENPC1MAPTRAB9AMEN1
SCHEMBL12127570 0.78 BRD4 (0.65) CDK2FGFR1KDRBRD4CDK8
SCHEMBL1484205 0.78 RIPK1 (0.64) CDK2FGFR1KDRBRD4CDK8
SCHEMBL12756735 0.78 CDK8 (0.46) CDK2CCNT1CDK9FGFR1KDR
SCHEMBL10799107 0.76 KDM4E (0.73) KDM4ENPC1MAPTRAB9AMEN1
SCHEMBL296198 0.76 KDR (0.65) MEN1KMT2ACDK2FGFR1KDR
SCHEMBL1483699 0.76 KDM4E (0.57) KDM4ENPC1MAPTRAB9AMEN1

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
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
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 1666/4885NPC1 228/4885MAPT 8/4885

“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.