SCHEMBL12534728

SCHEMBL12534728

[C-]#[N+]C1CCCN(c2nc(C)nc3c2c(C)c(C)n3-c2c(Br)cc(C(F)(F)F)cc2Br)C1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.40
GABRB3 P28472 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL12534743 0.89 CRHR1 (0.35) CRHR1KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL12534731 0.84 CRHR1 (0.50) CRHR1
SCHEMBL1638189 0.84 CRHR1 (0.40) CRHR1GABRB3KDM4EALDH1A1SMN1; SMN2
SCHEMBL5024135 0.84 PTGS1 (0.41) CRHR1KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL12534773 0.84 CRHR1 (0.43) CRHR1GABRB3KDM4EALDH1A1SMN1; SMN2
SCHEMBL1636906 0.83 CRHR1 (0.39) CRHR1GABRB3KDM4EALDH1A1SMN1; SMN2
SCHEMBL12534721 0.82 CRHR1 (0.60) CRHR1
SCHEMBL1637198 0.82 CRHR1 (0.38) CRHR1GABRB3KDM4EALDH1A1SMN1; SMN2
SCHEMBL12534745 0.81 CRHR1 (0.41) CRHR1
SCHEMBL12534813 0.81 CRHR1 (0.52) CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455511-B2 Pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-02 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-20080287397-A1 Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group TASHO PHARMACEUTICAL CO., LTD. (JP) 2008-11-20 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-20080287397-A1 Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group HRH2, HRH4, CRHR1 CRHR1 3/4885GABRB3 1710/4885KDM4E 1303/4885
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP HRH2, HRH4, CRHR1 CRHR1 3/4885GABRB3 1687/4885KDM4E 1230/4885

“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.