SCHEMBL12534738

SCHEMBL12534738

[C-]#[N+]C1CCCN(c2nc(C)nc3c2c(C)c(C)n3-c2ccc(C(C)C)cc2SC)C1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.37
C5AR1 P21730 1/20 0.31
LRRK2 Q5S007 2/20 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
SCHEMBL12534741 0.85 CRHR1 (0.37) CRHR1C5AR1LRRK2
SCHEMBL12534721 0.76 CRHR1 (0.60) CRHR1LRRK2
SCHEMBL12534743 0.76 CRHR1 (0.35) CRHR1LRRK2
SCHEMBL12534731 0.75 CRHR1 (0.50) CRHR1LRRK2
SCHEMBL6219183 0.74 CRHR1 (0.34) CRHR1
SCHEMBL6216327 0.73 CRHR1 (0.42) CRHR1
SCHEMBL12534745 0.72 CRHR1 (0.41) CRHR1LRRK2
SCHEMBL12534728 0.71 CRHR1 (0.40) CRHR1
SCHEMBL1637305 0.70 CRHR1 (0.37) CRHR1C5AR1
SCHEMBL12534813 0.69 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 3/4885C5AR1 339/4885LRRK2 614/4885
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP HRH2, HRH4, CRHR1 CRHR1 3/4885C5AR1 371/4885LRRK2 702/4885

“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.