SCHEMBL545659

SCHEMBL545659

CCCCc1cc(C)nc2c(-c3sc(-c4ncnn4C)cc3Cl)c(C)nn12

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 18/20 0.39
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL545128 0.83 CRHR1 (0.35) CRHR1KDM4EALDH1A1HPGDMEN1
SCHEMBL545488 0.82 MEN1 (0.37) CRHR1KDM4EALDH1A1HPGDMEN1
SCHEMBL5193884 0.68 CRHR1 (0.31) CRHR1
SCHEMBL3925838 0.68 CRHR1 (0.44) CRHR1
SCHEMBL22335453 0.68 HPGD (0.34) CRHR1KDM4EALDH1A1HPGDMEN1
SCHEMBL3921107 0.67 CRHR1 (0.51) CRHR1
SCHEMBL2497119 0.67 HPGD (0.35) CRHR1KDM4EALDH1A1HPGDMEN1
SCHEMBL3930704 0.67 CRHR1 (0.33) CRHR1
SCHEMBL3920539 0.67 CRHR1 (0.33) CRHR1
SCHEMBL545111 0.67 CRHR1 (0.49) 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 11 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
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-8110580-B2 Thiophene pyrazolopyrimidine compounds ELI LILLY AND COMPANY (US) 2012-02-07 US 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
US-20100022560-A1 THIOPHENE PYRAZOLOPYRIMIDINE COMPOUNDS CHEN ZHAOGEN 2010-01-28 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
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 2/4885KDM4E 4111/4885ALDH1A1 2135/4885

“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.