SCHEMBL491269

SCHEMBL491269

COc1cc[c]c(C(F)(F)F)n1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.34
GAA P10253 1/20 0.33
CYP11B2 P19099 1/20 0.32
CLK1 P49759 1/20 0.32
GABRA1 P14867 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA3 P34903 1/20 0.31
CYP1A2 P05177 1/20 0.31
METAP2 P50579 1/20 0.31
PDE2A O00408 1/20 0.30
PDE10A Q9Y233 1/20 0.30
POLB P06746 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL21630262 0.74 LMNA (0.45)
SCHEMBL21855912 0.74 BACE1 (0.36)
SCHEMBL8304698 0.74 CCR1 (0.36) CYP1A2
SCHEMBL18300146 0.74
SCHEMBL21630296 0.73 SCN5A (0.35) GAAPOLB
SCHEMBL21630297 0.73 THRB (0.40) GAA
SCHEMBL21630306 0.73 KDM4E (0.42) CYP1A2
SCHEMBL21630286 0.72 THRB (0.36)
SCHEMBL315179 0.71 POLB (0.33) CLK1CYP1A2POLBTDP1
SCHEMBL491627 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1618107-B1 CONDENSED N-HETEROCYCLIC COMPOUNDS AND THEIR USE AS CRF RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORK LTD (IE) 2010-06-30 EP claimed
US-8455511-B2 Pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
US-8106194-B2 Pyrrolopyrimidine and pyrrolotriazine derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-31 US disclosed
US-20110137031-A1 PYRROLOPYRIMIDINE AND PYRROLOTRIAZINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-09 US disclosed
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-02 US disclosed
US-7951811-B2 Antagonist against corticotropen releasing factor receptors; antidepressants, anxiolytic agents, Alzheimer's disease; Parkinson's disease; eating disorders; hypotensive agents; gastrointestinal disorders; drug abuse; brain disorders; antiischemic agents; antiinflammatory agents; immunotherapy; alopecia TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-05-31 US disclosed
US-20110124862-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH A CYCLIC AMINO GROUP AS CRF ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
US-7932259-B2 Pyrrolo[2,3-d]pyrimidine derivatives substituted with a cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-7557111-B2 Substituted thieno[3,2-d]pyrimidines as CRF receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-07 US disclosed
US-20090111835-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-04-30 US disclosed
WO-2005066178-A1 TRIAZA-CYCLOPENTA[CD]INDENE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-07-21 WO disclosed
WO-2005066142-A2 PYRROLOPYRIMIDINE AND PYRROLOTRIAZINE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-07-21 WO disclosed
US-6852732-B2 Tetrahydropyridino or piperidino heterocylic derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-02-08 US disclosed
US-20050009874-A1 Tetrahydropyridin or piperidino heterocyclic derivatives TAISHO PHARMACEUTICAL CO., LTD. 2005-01-13 US disclosed
EP-1467997-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-20 EP disclosed
WO-2004058767-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-07-15 WO disclosed
US-20040034061-A1 Tetrahydropyridino or piperidino heterocylic derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-02-19 US disclosed
EP-1299378-A4 TETRAHYDROPYRIDINO OR PIPERIDINO HETEROCYCLIC DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2004-01-28 EP disclosed
EP-1299378-A1 TETRAHYDROPYRIDINO OR PIPERIDINO HETEROCYCLIC DERIVATIVES Taisho Pharmaceutical Co. Ltd. (JP) 2003-04-09 EP disclosed
WO-2002002549-A1 TETRAHYDROPYRIDINO OR PIPERIDINO HETEROCYCLIC DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2002-01-10 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 (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-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP HRH2, HRH4, CRHR1 NFE2L2 1131/4885GAA 1921/4885CYP11B2 754/4885
US-20110137031-A1 PYRROLOPYRIMIDINE AND PYRROLOTRIAZINE DERIVATIVES HRH2, CRHR1, HRH4 NFE2L2 867/4885GAA 910/4885CYP11B2 2147/4885
US-20110124862-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH A CYCLIC AMINO GROUP AS CRF ANTAGONISTS CRHR1, HRH2, CRHR2 NFE2L2 1332/4885GAA 2461/4885CYP11B2 791/4885
US-20050009874-A1 Tetrahydropyridin or piperidino heterocyclic derivatives CRHR1, CRHR2, VIPR1 NFE2L2 1291/4885GAA 3257/4885CYP11B2 311/4885
US-20040034061-A1 Tetrahydropyridino or piperidino heterocylic derivatives CRHR1, CRHR2, AGTR1 NFE2L2 1838/4885GAA 3380/4885CYP11B2 303/4885
US-20090111835-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP HRH2, HRH3, HRH4 NFE2L2 1398/4885GAA 698/4885CYP11B2 2918/4885

“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.