SCHEMBL272489

SCHEMBL272489

[c]1ccc(-n2ncnn2)cc1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.32
CYP19A1 P11511 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
SCHEMBL871759 0.73
SCHEMBL9440546 0.73 NOTUM (0.45) BRS3
Hydrochloric Acid SCHEMBL4739527 0.71 NOTUM (0.44) BRS3
SCHEMBL8029514 0.70 ALDH1A1 (0.39)
SCHEMBL14895448 0.67 ALDH1A1 (0.40) BRS3CYP19A1
SCHEMBL17673656 0.64 P2RX7 (0.34)
SCHEMBL1428276 0.64 KDM4E (0.67)
SCHEMBL246008 0.64 CYP1A2 (0.46)
SCHEMBL9024253 0.63 POLB (0.31)
SCHEMBL7402637 0.63 ADH5 (0.47)

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 220 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133157-B2 HIV protease inhibitors MERCK CANADA INC. (CA) 2015-09-15 US claimed
US-20140303171-A1 HIV PROTEASE INHIBITORS MERCK CANADA INC. (CA) 2014-10-09 US claimed
EP-2771332-A1 HIV PROTEASE INHIBITORS Merck Canada Inc. (CA) 2014-09-03 EP claimed
EP-1911754-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL (JP) 2013-10-09 EP claimed
WO-2013059928-A1 HIV PROTEASE INHIBITORS MERCK CANADA INC. (CA) 2013-05-02 WO claimed
US-7960384-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US claimed
US-7825242-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-11-02 US claimed
US-7790734-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-07 US claimed
US-7723344-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-05-25 US claimed
US-7687638-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-03-30 US claimed
US-20050065144-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-24 US claimed
US-20050065145-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-24 US claimed
WO-2005016911-A1 4-PYRIMIDONE DERIVATIVES AND THEIR USE AS PEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-24 WO claimed
EP-1506967-A1 Dipeptidyl peptidase inhibitors Syrrx, Inc. (US) 2005-02-16 EP claimed
US-20050004117-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-01-06 US claimed
US-20040242566-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 US claimed
US-20040242568-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 US claimed
WO-2004087053-A9 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX INC (US) 2004-11-11 WO claimed
WO-2004087053-A2 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX, INC. (US) 2004-10-14 WO claimed
US-5948696-A LIBRARY OF COMPOUNDS LINKED TO SOLID SUPPORT; SUPPORT ALSO HAS IDENTIFIER MOLECULE (TAG); FOR USE IN SCREENING BIOLOGICALLY ACTIVE MOLECULES SUCH AS ENZYME INHIBITORS PHARMACOPEIA, INC. (US) 1999-09-07 US claimed

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-20050004117-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 BRS3 223/4885CYP19A1 2190/4885
US-20050065144-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 BRS3 565/4885CYP19A1 2037/4885
US-20050065145-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 BRS3 669/4885CYP19A1 1907/4885
US-20040242566-A1 Dipeptidyl peptidase inhibitors DPP9, DPP3, DPP4 BRS3 466/4885CYP19A1 2330/4885
US-20140303171-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, PRSS3 BRS3 2404/4885CYP19A1 479/4885
US-20040242568-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 BRS3 356/4885CYP19A1 2449/4885

“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.