SCHEMBL2995238

SCHEMBL2995238

Oc1ccncc1-c1cc2cccnc2[nH]1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 17/20 0.73
DAO P14920 1/20 0.53
CCNB2 O95067 2/20 0.47
CDK1 P06493 2/20 0.47
CCNB1 P14635 2/20 0.47
CCNB3 Q8WWL7 2/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
WNT1 P04628 1/20 0.43
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43
DYRK1A Q13627 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
SCHEMBL3006162 0.88 RIPK1 (0.73) RIPK1DAOCCNB2CDK1CCNB1
SCHEMBL2997190 0.84 RIPK1 (1.00) RIPK1DAOCCNB2CDK1CCNB1
SCHEMBL31064965 0.84 RIPK1 (1.00) RIPK1DAOCCNB2CDK1CCNB1
SCHEMBL1999798 0.80 KDM4E (0.57) RIPK1DAOGSK3B
SCHEMBL3009852 0.80 RIPK1 (0.74) RIPK1DAOCCNB2CDK1CCNB1
SCHEMBL3004549 0.76 RIPK1 (0.69) RIPK1DAOCCNB2CDK1CCNB1
SCHEMBL26053438 0.76 RIPK1 (0.71) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL1780991 0.74 CYP19A1 (0.66) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL18741322 0.73 RIPK1 (1.00) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL29460546 0.73 RIPK1 (0.65) RIPK1CCNB2CDK1CCNB1CCNB3

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-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
CN-101563337-A Indole compounds MICROBIA INC (US) 2009-10-21 CN 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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 RIPK1 1213/4885DAO 1097/4885CCNB2 1957/4885

“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.