SCHEMBL2693979

SCHEMBL2693979

CCNc1c(C#N)ccc(Br)c1C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.34
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
RECQL P46063 1/20 0.33
AR P10275 4/20 0.32
DRD4 P21917 2/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL2694746 0.81 PGK1 (0.33) PGK1
Hydrochloric Acid SCHEMBL27775365 0.79 TSHR (0.36) PGK1TSHRCYP3A4RECQLAR
SCHEMBL28315214 0.77 DYRK1A (0.38) PGK1TSHRCYP3A4EGFRERBB2
SCHEMBL29468705 0.77 DYRK1A (0.38) PGK1TSHRCYP3A4EGFRERBB2
SCHEMBL16906533 0.73 AR (0.43) TSHRAREGFR
SCHEMBL24743198 0.72 MAPKAPK2 (0.36) PGK1TSHRCYP3A4ARADORA2A
SCHEMBL28286735 0.70 ABCG2 (0.43) PGK1RECQLAREGFR
Hydrochloric Acid SCHEMBL27701462 0.69 TSHR (0.47) PGK1TSHRADORA2AADORA1
SCHEMBL1642132 0.68 AR (0.49) AR
SCHEMBL152425 0.68 AR (0.40) TSHRAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104710420-B Azabicyclic formula compound or its salt, containing its medicine, compositions and application 大鹏药品工业株式会社 2016-07-27 CN disclosed
US-9273045-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-03-01 US disclosed
EP-2452940-B1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2014-12-17 EP disclosed
US-20140303162-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-10-09 US disclosed
US-8779142-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-07-15 US disclosed
CN-102471335-A Azanebicyclic compound or salt thereof TAIHO PHARMACEUTICAL CO LTD 2012-05-23 CN disclosed
EP-2452940-A1 AZABICYCLO COMPOUND AND SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2012-05-16 EP disclosed
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2012-05-03 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 (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-20140303162-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 PGK1 4670/4885TSHR 1559/4885CYP3A4 2098/4885
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 PGK1 4670/4885TSHR 1559/4885CYP3A4 2098/4885

“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.