SCHEMBL7137016

SCHEMBL7137016

CCc1nc2c(-c3ccc(Cl)cc3Cl)nccn2c1C(C)O

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.44
EGLN2 Q96KS0 1/20 0.40
DPP4 P27487 1/20 0.40

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
SCHEMBL7081026 0.89 CRHR1 (0.42) CRHR1
SCHEMBL7136995 0.87 CRHR1 (0.45) CRHR1
SCHEMBL2872388 0.83 CRHR1 (0.41) CRHR1EGLN2DPP4
SCHEMBL2873955 0.82 CRHR1 (0.42) CRHR1
SCHEMBL2872391 0.80 CRHR1 (0.43) CRHR1DPP4
Hydrochloric Acid SCHEMBL2872047 0.79 CRHR1 (0.43) CRHR1DPP4
SCHEMBL7081174 0.79 DPP4 (0.43) CRHR1EGLN2DPP4
SCHEMBL2868075 0.79 KMT2A (0.43) CRHR1EGLN2DPP4
Hydrochloric Acid SCHEMBL2864749 0.79 CRHR1 (0.57) CRHR1
SCHEMBL2869643 0.79 CRHR1 (0.45) CRHR1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030220342-A1 Imidazo[1, 2-a] pyrazines for the treatment of irritable bowel syndrome BAKTHAVATCHALAM RAJAGOPAL (US) 2003-11-27 US disclosed
US-6589952-B2 Imidazo(1,2-a)pyrazines containing an aryl or heteroaryl group are useful as (corticotropin releasiang factor) CRF receptor antagonists in the treatment of various neurological and psychological disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-08 US disclosed
US-20020049208-A1 Imidazo[1,2-a]pyrazines for the treatment of neurological disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-25 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-20030220342-A1 Imidazo[1, 2-a] pyrazines for the treatment of irritable bowel syndrome SCN5A, HRH2, CHRNA5 CRHR1 64/4885EGLN2 3887/4885DPP4 4188/4885
US-20020049208-A1 Imidazo[1,2-a]pyrazines for the treatment of neurological disorders CRHR1, CRHR2, CRH CRHR1 1/4885EGLN2 1774/4885DPP4 3021/4885

“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.