SCHEMBL12534748

SCHEMBL12534748

[C-]#[N+]C1CCCN(c2nc(C)nc3c2c(C)cn3-c2c(CC)cc(Br)cc2CC)C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.32
FPR3 P25089 1/20 0.30
TSPO P30536 1/20 0.30
CRHR1 P34998 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
MAP2K7 O14733 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
SCHEMBL12534734 0.90 CRHR1 (0.32) LRRK2FPR3TSPOCRHR1TMEM97
SCHEMBL12534820 0.84 CRHR1 (0.33) FPR3TSPOCRHR1TMEM97
SCHEMBL12534724 0.84 CRHR1 (0.39) LRRK2FPR3TSPOCRHR1TMEM97
SCHEMBL12534745 0.84 CRHR1 (0.41) LRRK2CRHR1MAP2K7
SCHEMBL1638401 0.84 KDM4E (0.32) FPR3TSPOCRHR1TMEM97MAP2K7
SCHEMBL12534784 0.84 MAP2K7 (0.31) FPR3TSPOCRHR1TMEM97MAP2K7
SCHEMBL12534825 0.82 CRHR1 (0.33) FPR3TSPOCRHR1TMEM97
SCHEMBL1638289 0.79 MAP2K7 (0.42) FPR3TSPOCRHR1TMEM97MAP2K7
SCHEMBL12534767 0.78 CRHR1 (0.35) FPR3TSPOCRHR1TMEM97
SCHEMBL1636919 0.77 JAK2 (0.37) FPR3TSPOCRHR1TMEM97MAP2K7

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 LRRK2 614/4885FPR3 157/4885TSPO 2034/4885
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP HRH2, HRH4, CRHR1 LRRK2 702/4885FPR3 171/4885TSPO 1859/4885

“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.