SCHEMBL7005103

SCHEMBL7005103

CCc1nc2c(Cl)nccn2c1NCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.44
PLAU P00749 2/20 0.43
NR1H4 Q96RI1 7/20 0.40
CDK9 P50750 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CSNK1E P49674 1/20 0.39
CDK1 P06493 2/20 0.39
KCNN1 Q92952 1/20 0.38
KCNN2 Q9H2S1 1/20 0.38
KCNN3 Q9UGI6 1/20 0.38
FLT3 P36888 2/20 0.37

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
SCHEMBL29892832 0.85 PDE10A (0.47) MAPK8NR1H4CDK9SMN1; SMN2CDK1
SCHEMBL31343882 0.65 BACE1 (0.65) SMN1; SMN2
SCHEMBL9051857 0.64 GRM2 (0.41) SMN1; SMN2
SCHEMBL2866010 0.63 CSNK1E (0.39) SMN1; SMN2CSNK1E
SCHEMBL2868815 0.63 CSNK1E (0.32) CSNK1E
SCHEMBL2870860 0.63 CSNK1E (0.32) CSNK1E
SCHEMBL2785512 0.63 ALDH1A1 (0.50) SMN1; SMN2
SCHEMBL8239615 0.62 ADORA3 (0.56) MAPK8CDK1FLT3
SCHEMBL12575075 0.62 ADORA3 (0.55) MAPK8
SCHEMBL26605849 0.62 MAPK8 (0.54) MAPK8SMN1; SMN2CDK1

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 5 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
EP-1301511-A2 IMIDAZO 1,2-a]PYRAZINES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Bristol-Myers Squibb Pharma Company (US) 2003-04-16 EP 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
WO-2002006286-A2 IMIDAZO[1,2-a]PYRAZINES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-24 WO 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 MAPK8 3415/4885PLAU 4753/4885NR1H4 26/4885
US-20020049208-A1 Imidazo[1,2-a]pyrazines for the treatment of neurological disorders CRHR1, CRHR2, CRH MAPK8 3211/4885PLAU 2780/4885NR1H4 598/4885

“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.