SCHEMBL5492832

SCHEMBL5492832

Cc1nc(CCCN(C)C2CC2)c2c(n1)C(c1ccc(Cl)cc1Cl)CC2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHIT1 Q13231 2/20 0.35
CHIA Q9BZP6 2/20 0.35
CHI3L1 P36222 1/20 0.34
CHI3L2 Q15782 1/20 0.34
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
CRHR1 P34998 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL5491036 0.80 CRHR1 (0.35) CRHR1
SCHEMBL5257616 0.79 GRIN2B (0.41) CHIAGRIN1GRIN2BACHE
SCHEMBL5488983 0.77 CRHR1 (0.45) CHIT1CHIACHI3L1CHI3L2CRHR1
SCHEMBL5492086 0.76 TP53 (0.36) CRHR1
SCHEMBL5492348 0.74 CRHR1 (0.43) CHIT1CHIACHI3L1CHI3L2CRHR1
SCHEMBL5498704 0.74 TP53 (0.36) CRHR1
SCHEMBL5258080 0.73 GRIN2B (0.40) GRIN1GRIN2BACHE
SCHEMBL5488610 0.73 CRHR1 (0.34) CRHR1ACHE
SCHEMBL5492837 0.71 CRHR1 (0.54) CRHR1
SCHEMBL5494540 0.70 SMN1; SMN2 (0.34) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) GLAXO GROUP LIMITED (GB) 2004-09-09 US claimed
US-7279474-B2 Substituted pyrrolo[2,3-d]pyrimidines as antagonists of the corticotropin releasing factor (CRF) GLAXO GROUP LIMITED (GB) 2007-10-09 US disclosed
US-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) GLAXO GROUP LIMITED (GB) 2004-09-09 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 (1 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-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) CRH, CRHR1, CRHR2 CHIT1 2077/4885CHIA 2958/4885CHI3L1 2578/4885

“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.