SCHEMBL2500602

SCHEMBL2500602

CCC(CC)c1nc(C)cc2c(-c3sc(N(C)C)nc3C(F)(F)F)c(C)nn12

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.32
GRM8 O00222 1/20 0.30
CYP1A2 P05177 1/20 0.30
GRM7 Q14831 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
SCHEMBL2933140 0.82 CRHR1 (0.38) CRHR1GRM8CYP1A2GRM7
SCHEMBL2492930 0.80 PIK3CG (0.38)
SCHEMBL3926033 0.72 CRHR1 (0.55) CRHR1
SCHEMBL2930712 0.68 CRHR1 (0.39) CRHR1
SCHEMBL2498882 0.68 POLB (0.39) CRHR1GRM8CYP1A2GRM7
SCHEMBL2495462 0.67 KDM4E (0.38) CRHR1GRM8CYP1A2GRM7
SCHEMBL2929183 0.67 CRHR1 (0.38) CRHR1
SCHEMBL2932988 0.67 CRHR1 (0.38) CRHR1
SCHEMBL3146714 0.66 CRHR1 (0.56) CRHR1
SCHEMBL3935803 0.65 CRHR1 (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030304-B2 Thiazole pyrazolopyrimidines CRF1 receptor antagonists ELI LILLY AND COMPANY (US) 2011-10-04 US disclosed
US-20100222339-A1 Thiazole pyrazolopyrimidines CRF1 receptor antagonists ELI LILLY AND COMPANY 2010-09-02 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-20100222339-A1 Thiazole pyrazolopyrimidines CRF1 receptor antagonists CRHR1, CRH, CRHR2 CRHR1 1/4885GRM8 173/4885CYP1A2 1668/4885

“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.