SCHEMBL2496468

SCHEMBL2496468

Cc1ccc(C)n1-c1nc(C(F)(F)F)c(Br)s1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
TSHR P16473 1/20 0.37
RIPK1 Q13546 1/20 0.37
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.30

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
Bromide SCHEMBL2445772 0.72 COMT (0.42) MAPTRIPK1POLB
SCHEMBL10242311 0.70 COMT (0.43) MAPTRIPK1KDM4EPOLB
SCHEMBL30858971 0.66 MAPT (0.43) MAPTTSHRKDM4E
SCHEMBL29261677 0.66 MAPT (0.43) MAPTTSHRKDM4E
Bromide SCHEMBL2497703 0.65 HSD17B10 (0.36) MAPT
SCHEMBL17845448 0.65 KDM4E (0.41) MAPTTSHRKDM4EPOLB
SCHEMBL1871602 0.63 KDM4E (0.48) MAPTTSHRKDM4EPOLB
SCHEMBL31229226 0.63 MAPT (0.47) MAPTTSHRKDM4E
SCHEMBL1530370 0.62 MAPT (0.64) MAPTTSHR
SCHEMBL330115 0.62 HSD17B10 (0.37) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101516887-B Thiazole pyrazolopyrimidines as crf1 receptor antagonists LILLY CO ELI 2011-11-02 CN 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
EP-2094709-A1 THIAZOLE PYRAZOLOPYRIMIDINES AS CRF1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-09-02 EP disclosed
CN-101516887-A Thiazole pyrazolopyrimidines as CRF1 receptor antagonists LILLY CO ELI (US) 2009-08-26 CN 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 MAPT 1253/4885TSHR 62/4885RIPK1 2579/4885

“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.