SCHEMBL12534788

SCHEMBL12534788

[C-]#[N+]CC1CCN(c2nc(C)nc3c2c(C)c(C)n3-c2c(Br)cc(Br)cc2Br)CC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.33
MAP2K7 O14733 1/20 0.32
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
SCHEMBL12534778 0.92 CRHR1 (0.53) CRHR1SMN1; SMN2MAP2K7TDP1
SCHEMBL12534798 0.91 CRHR1 (0.43) CRHR1MAP2K7
SCHEMBL12534773 0.91 CRHR1 (0.43) CRHR1SMN1; SMN2MAP2K7
SCHEMBL12534794 0.90 CRHR1 (0.45) CRHR1SMN1; SMN2MAP2K7
SCHEMBL12534782 0.90 CRHR1 (0.44) CRHR1SMN1; SMN2MAP2K7TDP1
SCHEMBL1636170 0.87 CRHR1 (0.48) CRHR1SMN1; SMN2MAP2K7TDP1
SCHEMBL12534851 0.87 CRHR1 (0.49) CRHR1SMN1; SMN2TDP1
SCHEMBL12534771 0.86 CRHR1 (0.64) CRHR1MAP2K7TDP1
SCHEMBL1637967 0.85 CRHR1 (0.47) CRHR1SMN1; SMN2MAP2K7TDP1
SCHEMBL12535252 0.84 KDM4E (0.30) 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 3/4885SMN1; SMN2 3792/4885MAP2K7 1653/4885
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP HRH2, HRH4, CRHR1 CRHR1 3/4885SMN1; SMN2 3792/4885MAP2K7 1632/4885

“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.