SCHEMBL2493432

SCHEMBL2493432

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.37
GRM8 O00222 2/20 0.37
GRM7 Q14831 2/20 0.37
HTT P42858 1/20 0.36
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP2C9 P11712 2/20 0.33
TACR1 P25103 1/20 0.33
GRM4 Q14833 1/20 0.32
HPGD P15428 1/20 0.32
CRHR1 P34998 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL2929947 0.86 CYP1A2 (0.34) CYP1A2GRM8GRM7HTTKDM4E
SCHEMBL2495462 0.85 KDM4E (0.38) CYP1A2GRM8GRM7HTTKDM4E
SCHEMBL2498882 0.84 POLB (0.39) CYP1A2GRM8GRM7HTTKDM4E
SCHEMBL2933140 0.82 CRHR1 (0.38) CYP1A2GRM8GRM7HTTKDM4E
SCHEMBL2495432 0.80 POLB (0.40) CYP1A2GRM8GRM7HTTKDM4E
SCHEMBL2931328 0.78 PIK3CG (0.38) CYP1A2GRM8GRM7KDM4EPOLB
SCHEMBL2932900 0.77 CRHR1 (0.47) KDM4EPOLBLMNAHPGDCRHR1
SCHEMBL2933952 0.76 HPGD (0.34) CYP1A2GRM8GRM7HTTKDM4E
SCHEMBL2933954 0.76 HPGD (0.34) CYP1A2GRM8GRM7HTTKDM4E
SCHEMBL12214398 0.75 CYP1A2 (0.34) CYP1A2GRM8GRM7HTTKDM4E

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 CYP1A2 1668/4885GRM8 173/4885GRM7 147/4885

“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.