SCHEMBL545111

SCHEMBL545111

CCCCc1cc(C)nc2c(-c3sc4ccc(F)cc4c3C)c(C)nn12

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 0.49
TSHR P16473 2/20 0.38
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL15103889 0.82 CRHR1 (0.58) CRHR1TSHRMAPTKDM4EALDH1A1
SCHEMBL15104032 0.82 CRHR1 (0.53) CRHR1TSHRMAPTKDM4EALDH1A1
SCHEMBL545900 0.80 CRHR1 (0.50) CRHR1TSHRMAPTKDM4EALDH1A1
SCHEMBL4693477 0.71 CRHR1 (0.67) CRHR1MAPTKDM4EUSP2ALDH1A1
SCHEMBL4693619 0.71 CRHR1 (0.67) CRHR1MAPTKDM4EUSP2ALDH1A1
SCHEMBL3963171 0.69 CRHR1 (0.84) CRHR1
SCHEMBL4695461 0.68 CRHR1 (0.58) CRHR1
SCHEMBL4690737 0.67 CRHR1 (0.57) CRHR1
SCHEMBL545442 0.67 CRHR1 (0.38) CRHR1HPGD
SCHEMBL545659 0.67 CRHR1 (0.39) CRHR1KDM4EALDH1A1HPGD

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
EP-2076515-B1 THIOPHENE PYRAZOLOPYRIMIDINE COMPOUNDS LILLY CO ELI (US) 2013-07-17 EP disclosed
US-8110580-B2 Thiophene pyrazolopyrimidine compounds ELI LILLY AND COMPANY (US) 2012-02-07 US disclosed
US-20100022560-A1 THIOPHENE PYRAZOLOPYRIMIDINE COMPOUNDS CHEN ZHAOGEN 2010-01-28 US disclosed
EP-2076515-A1 THIOPHENE PYRAZOLOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2009-07-08 EP disclosed
WO-2008036541-A1 THIOPHENE PYRAZOLOPYRIMIDINE COMPOUNDS 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-20100022560-A1 THIOPHENE PYRAZOLOPYRIMIDINE COMPOUNDS CRH, CRHR1, CRHR2 CRHR1 2/4885TSHR 51/4885MAPT 1164/4885

“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.