SCHEMBL579303

SCHEMBL579303

Cc1cc2[nH]cc(C#N)c2cc1F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 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
IDO1 P14902 1/20 0.43
SLC6A4 P31645 8/20 0.37
GPR84 Q9NQS5 1/20 0.37
SLC6A2 P23975 3/20 0.35
SLC6A3 Q01959 2/20 0.35
DYRK1A Q13627 1/20 0.34
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
SCHEMBL187353 0.93 IMPDH2 (0.44) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL592712 0.89 CCNT1 (0.41) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL187814 0.85 IMPDH2 (0.50) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL12309698 0.85 IMPDH2 (0.50) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL578993 0.79 IMPDH2 (0.44) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL16727224 0.77 IDO1 (0.49) IDO1GPR84
SCHEMBL188260 0.77 SRC (0.43) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL31748727 0.76 IMPDH2 (0.44) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL21920320 0.76 TRPV4 (0.39) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL12309706 0.76 HTR1A (0.51) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT IDO1, IRF3, MAVS IMPDH2 53/4885IMPDH1 36/4885CCNT1 666/4885

“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.