SCHEMBL13748359

SCHEMBL13748359

Cc1ccc(C#N)c(C(C)C)c1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
AR P10275 8/20 0.35
TRPV4 Q9HBA0 1/20 0.33
KDM5A P29375 1/20 0.33
EGLN2 Q96KS0 1/20 0.32
CYP11B1 P15538 4/20 0.32
CYP11B2 P19099 4/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
ALDH1A1 P00352 1/20 0.31
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31

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
SCHEMBL17988478 0.86 TRPV4 (0.36) TSHRARTRPV4KDM5ACYP11B1
SCHEMBL13748000 0.82 TRPV4 (0.38) ARTRPV4CYP11B1CYP11B2MAOA
SCHEMBL13799262 0.82 TSHR (0.41) TSHRARKDM5ACYP11B1CYP11B2
SCHEMBL16132831 0.79 AR (0.39) ARTRPV4KDM5ACYP11B1CYP11B2
SCHEMBL410450 0.77 TSHR (0.44) TSHRARTRPV4EGLN2CYP11B1
SCHEMBL9945875 0.77 LMNA (0.34)
SCHEMBL13748003 0.77 IMPDH2 (0.50) ARMAOAMAOBALDH1A1IMPDH2
SCHEMBL21937408 0.76 AR (0.40) TSHRARKDM5ACYP11B1CYP11B2
SCHEMBL12957943 0.75 TSHR (0.43) TSHRARTRPV4EGLN2CYP11B1
SCHEMBL16122059 0.73 TRPV4 (0.37) ARTRPV4CYP11B1CYP11B2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250074-A1 PROCESS FOR SYNTHESIS OF QUINAZOLINE COMPOUNDS GENENTECH, INC. (US) 2023-08-10 US disclosed
US-9951071-B2 Dihydropyridone P1 as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-24 US disclosed
US-20160340360-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-24 US disclosed
US-9409908-B2 Dihydropyridone p1 as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-09 US disclosed
US-8835423-B2 Azepine inhibitors of janus kinases INCYTE CORPORATION (US) 2014-09-16 US disclosed
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2014-01-30 US disclosed
US-8563541-B2 Azepine inhibitors of Janus kinases INCYTE CORPORATION (US) 2013-10-22 US disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 US disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US 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 (6 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-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 TSHR 3268/4885AR 3101/4885TRPV4 4030/4885
US-20230250074-A1 PROCESS FOR SYNTHESIS OF QUINAZOLINE COMPOUNDS HCCS, NQO2, SQLE TSHR 3734/4885AR 3518/4885TRPV4 4634/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 TSHR 3268/4885AR 3101/4885TRPV4 4030/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 TSHR 3268/4885AR 3101/4885TRPV4 4030/4885
US-20160340360-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 TSHR 3303/4885AR 3399/4885TRPV4 1066/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 TSHR 3268/4885AR 3101/4885TRPV4 4030/4885

“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.