SCHEMBL578993

SCHEMBL578993

N#Cc1c[nH]c2cc(Br)c(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.44
IMPDH1 P20839 1/20 0.44
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
HASPIN Q8TF76 1/20 0.44
DYRK1A Q13627 3/20 0.44
IDO1 P14902 3/20 0.43
CSNK2A1 P68400 2/20 0.42
GPR84 Q9NQS5 2/20 0.37
SRC P12931 1/20 0.36
SLC6A4 P31645 3/20 0.35
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL31748727 0.93 IMPDH2 (0.44) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL187814 0.85 IMPDH2 (0.50) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL579303 0.79 IMPDH2 (0.44) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL20604649 0.76 CSNK2A1 (0.39) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL16920114 0.76 CSNK2A1 (0.60) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL187353 0.76 IMPDH2 (0.44) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL592712 0.76 CCNT1 (0.41) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL4720456 0.76 CSNK2A1 (0.77) IDO1CSNK2A1GPR84SLC6A4
SCHEMBL25888134 0.73 IDO1 (0.46) IDO1CSNK2A1GPR84
SCHEMBL5329622 0.72 GPR84 (0.44) IMPDH2IMPDH1CCNT1CDK9HASPIN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970268-A1 CDK9 KINASE INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
US-8969375-B2 CDK9 kinase inhibitors ABBVIE, INC. (US) 2015-03-03 US disclosed
WO-2014159999-A1 CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-10-02 WO disclosed
US-20140275153-A1 CDK9 KINASE INHIBITORS ABBIVE INC. 2014-09-18 US disclosed
US-8735414-B2 Indole derivatives and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2014-05-27 US disclosed
US-8735414-B2 Indole derivatives and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2014-05-27 US disclosed
CN-102695704-A Indole derivatives and methods for antiviral treatment PTC THERAPEUTICS INC 2012-09-26 CN disclosed
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-07-19 US disclosed
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-07-19 US disclosed
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-07-19 US disclosed
EP-2417122-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC Therapeutics, Inc. (US) 2012-02-15 EP disclosed
WO-2010117932-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT SCHERING CORPORATION (US) 2010-10-14 WO disclosed
WO-2010117932-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT SCHERING CORPORATION (US) 2010-10-14 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 (2 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-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT IDO1, IRF3, MAVS IMPDH2 53/4885IMPDH1 36/4885CCNT1 666/4885
US-20140275153-A1 CDK9 KINASE INHIBITORS CDK9, CDK19, CDK10 IMPDH2 3708/4885IMPDH1 3141/4885CCNT1 26/4885

“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.