SCHEMBL2496095

SCHEMBL2496095

CCC(CC)c1cc(C)nc2c(-c3sc(N4CCOCC4)nc3Br)c(C)nn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.49
CRHR2 Q13324 1/20 0.49
HSD17B10 Q99714 6/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 2/20 0.45
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 3/20 0.37
USP2 O75604 2/20 0.35
PIK3CD O00329 2/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CB P42338 2/20 0.35
AR P10275 2/20 0.34
PIK3CG P48736 1/20 0.34
NPC1 O15118 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
SCHEMBL2495306 0.93 CRHR1 (0.44) CRHR1CRHR2HSD17B10LMNAMAPK1
SCHEMBL2931339 0.91 CRHR1 (0.52) CRHR1CRHR2HSD17B10LMNAMAPK1
SCHEMBL2182127 0.89 CRHR1 (0.61) CRHR1CRHR2HSD17B10LMNAMAPK1
SCHEMBL2494849 0.87 CRHR1 (0.48) CRHR1CRHR2HSD17B10LMNAMAPK1
SCHEMBL2932900 0.86 CRHR1 (0.47) CRHR1CRHR2HSD17B10LMNAMAPK1
SCHEMBL2502974 0.85 KDM4E (0.40) CRHR1CRHR2HSD17B10LMNAMAPK1
SCHEMBL29430976 0.84 CRHR1 (0.57) CRHR1CRHR2HSD17B10LMNAMAPK1
Tildacerfont SCHEMBL29462437 0.83 CRHR1 (0.49) CRHR1CRHR2HSD17B10LMNAMAPK1
SCHEMBL2497805 0.83 HPGD (0.38) CRHR1LMNAMAPK1KMT2APOLB
SCHEMBL2180543 0.81 CRHR1 (0.54) CRHR1CRHR2HSD17B10LMNAMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024330-A1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2024-01-25 US disclosed
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 (2 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 1/4885CRHR2 3/4885HSD17B10 1922/4885
US-20240024330-A1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE CRHR1, CRHR2, MC2R CRHR1 1/4885CRHR2 2/4885HSD17B10 752/4885

“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.