SCHEMBL2492930

SCHEMBL2492930

CCC(CC)c1nc(C)cc2c(-c3sc(NC(C)=O)nc3C(F)(F)F)c(C)nn12

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 14/20 0.38
PIK3CA P42336 6/20 0.38
PIK3CD O00329 5/20 0.38
PIK3CB P42338 5/20 0.38
DYRK1A Q13627 2/20 0.34
PI4KB Q9UBF8 1/20 0.34
RIPK1 Q13546 1/20 0.34

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
SCHEMBL2931328 0.84 PIK3CG (0.38) PIK3CGPIK3CAPIK3CDPIK3CBDYRK1A
SCHEMBL2500602 0.80 CRHR1 (0.32)
SCHEMBL2498943 0.67 BRD4 (0.34) PI4KB
SCHEMBL2498882 0.65 POLB (0.39)
SCHEMBL2495462 0.64 KDM4E (0.38)
SCHEMBL544898 0.64 MAPT (0.42)
SCHEMBL2933140 0.63 CRHR1 (0.38)
SCHEMBL2495432 0.62 POLB (0.40)
SCHEMBL2493432 0.61 CYP1A2 (0.37)
SCHEMBL2929947 0.60 CYP1A2 (0.34)

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 PIK3CG 4193/4885PIK3CA 3337/4885PIK3CD 4102/4885

“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.