SCHEMBL9940012

SCHEMBL9940012

N#CSc1cc(C#N)c(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.41
KHK P50053 1/20 0.36
CYP11B2 P19099 3/20 0.36
CYP11B1 P15538 1/20 0.34
ALDH1A1 P00352 1/20 0.33
USP2 O75604 1/20 0.33
USP8 P40818 1/20 0.33
USP5 P45974 1/20 0.33
USP4 Q13107 1/20 0.33
USP7 Q93009 1/20 0.33
EGLN2 Q96KS0 1/20 0.30

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
SCHEMBL8462168 0.78 TRPV4 (0.52) TRPV4KHKCYP11B2CYP11B1ALDH1A1
SCHEMBL31504178 0.76 TRPV4 (0.56) TRPV4KHKCYP11B2CYP11B1ALDH1A1
SCHEMBL1880028 0.76 TRPV4 (0.56) TRPV4KHKCYP11B2CYP11B1ALDH1A1
SCHEMBL26944293 0.73 USP2 (0.41) ALDH1A1USP2USP8USP5USP4
SCHEMBL10947192 0.71 TRPV4 (0.56) TRPV4KHKCYP11B2CYP11B1ALDH1A1
SCHEMBL29513067 0.71 TRPV4 (0.50) TRPV4KHKCYP11B2CYP11B1ALDH1A1
SCHEMBL286611 0.71 TRPV4 (0.50) TRPV4KHKCYP11B2CYP11B1ALDH1A1
SCHEMBL29176660 0.71 TRPV4 (0.45) TRPV4KHKCYP11B2CYP11B1ALDH1A1
SCHEMBL30701960 0.71 TRPV4 (0.45) TRPV4KHKCYP11B2CYP11B1ALDH1A1
SCHEMBL27191919 0.71 TRPV4 (0.45) TRPV4KHKCYP11B2CYP11B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
EP-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 EP disclosed
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 US disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 US disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
US-20120196897-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 US disclosed
US-20120196897-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 US disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 US disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 US disclosed
WO-2010100249-A1 3H-IMIDAZO [4, 5 -C] PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-10 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 (4 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-20120309738-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES TRPV4 2761/4885KHK 3937/4885CYP11B2 103/4885
US-20120196897-A1 NEW COMPOUNDS MTX1, LTB4R, RDX TRPV4 142/4885KHK 3775/4885CYP11B2 911/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX TRPV4 142/4885KHK 3775/4885CYP11B2 911/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX TRPV4 142/4885KHK 3775/4885CYP11B2 911/4885

“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.