SCHEMBL2498882

SCHEMBL2498882

CCC(CC)c1cc(C)nc2c(-c3sc(Br)nc3C(F)(F)F)c(C)nn12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 5/20 0.38
GRM8 O00222 2/20 0.38
GRM7 Q14831 2/20 0.38
HTT P42858 1/20 0.37
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CRHR1 P34998 4/20 0.34
CYP2C9 P11712 2/20 0.34
TACR1 P25103 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
SCHEMBL2495462 0.88 KDM4E (0.38) POLBKDM4ECYP1A2GRM8GRM7
SCHEMBL2933140 0.87 CRHR1 (0.38) POLBKDM4ECYP1A2GRM8GRM7
SCHEMBL2931270 0.87 HPGD (0.39) POLBKDM4EHTTMAPTHPGD
SCHEMBL2497805 0.85 HPGD (0.38) POLBKDM4EHTTMAPTHPGD
SCHEMBL2495432 0.85 POLB (0.40) POLBKDM4ECYP1A2GRM8GRM7
SCHEMBL2493432 0.84 CYP1A2 (0.37) POLBKDM4ECYP1A2GRM8GRM7
SCHEMBL2931328 0.83 PIK3CG (0.38) POLBKDM4ECYP1A2GRM8GRM7
SCHEMBL2932900 0.82 CRHR1 (0.47) POLBKDM4EHPGDLMNAMEN1
SCHEMBL545543 0.80 HPGD (0.40) POLBKDM4EHTTMAPTHPGD
SCHEMBL2929947 0.80 CYP1A2 (0.34) POLBKDM4ECYP1A2GRM8GRM7

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-8030304-B2 Thiazole pyrazolopyrimidines CRF1 receptor antagonists ELI LILLY AND COMPANY (US) 2011-10-04 US disclosed
EP-2094709-B1 THIAZOLE PYRAZOLOPYRIMIDINES AS CRF1 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2010-09-15 EP 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 POLB 4776/4885KDM4E 4562/4885CYP1A2 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.