SCHEMBL2496995

SCHEMBL2496995

Cc1nc(-n2cccc2)sc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.38
GAA P10253 4/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 5/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
PKM P14618 1/20 0.35
POLB P06746 3/20 0.34
RECQL P46063 1/20 0.34
MAPT P10636 5/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
USP2 O75604 2/20 0.32
ALOX15 P16050 1/20 0.32
DRD4 P21917 1/20 0.32

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
SCHEMBL14196470 0.72 ALDH1A1 (0.41) NOS1GAALMNAALDH1A1NPC1
SCHEMBL5761551 0.71 LMNA (0.36) GAALMNAALDH1A1POLBMAPT
SCHEMBL20062956 0.68 ALDH1A1 (0.40) NOS1GAALMNAALDH1A1NPC1
SCHEMBL20071965 0.67 USP2 (0.41) NOS1GAAALDH1A1NPC1RAB9A
SCHEMBL27696174 0.65 NOS1 (0.34) NOS1GAAALDH1A1
SCHEMBL13946247 0.65 NOS1 (0.41) NOS1ALDH1A1NPC1RAB9APKM
SCHEMBL973505 0.64 ALDH1A1 (0.30) GAAALDH1A1NPC1RAB9APKM
SCHEMBL27488790 0.64 NOS1 (0.33) NOS1
SCHEMBL4852520 0.64 ALDH1A1 (0.61) GAALMNAALDH1A1NPC1RAB9A
Bromide SCHEMBL9486332 0.63 NOS1 (0.32) NOS1

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 5 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
EP-2094709-A1 THIAZOLE PYRAZOLOPYRIMIDINES AS CRF1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-09-02 EP disclosed
WO-2008036579-A1 THIAZOLE PYRAZOLOPYRIMIDINES AS CRF1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2008-03-27 WO 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 NOS1 2858/4885GAA 3080/4885LMNA 4696/4885

“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.