SCHEMBL544959

SCHEMBL544959

CCC(CC)c1cc(C)nc2c(-c3sc(Br)cc3Cl)c(C)nn12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.40
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL15103887 0.91 CRHR1 (0.39) CRHR1HPGDALDH1A1KDM4EPOLB
SCHEMBL545543 0.89 HPGD (0.40) CRHR1HPGDALDH1A1KDM4EPOLB
SCHEMBL15103929 0.87 MAPT (0.39) CRHR1HPGDALDH1A1KDM4EPOLB
SCHEMBL544921 0.85 CRHR1 (0.45) CRHR1HPGDALDH1A1KDM4EMAPT
SCHEMBL2931270 0.84 HPGD (0.39) CRHR1HPGDALDH1A1KDM4EPOLB
SCHEMBL12409295 0.83 CRHR1 (0.40) CRHR1HPGDALDH1A1KDM4EPOLB
SCHEMBL2497805 0.83 HPGD (0.38) CRHR1HPGDALDH1A1KDM4EPOLB
SCHEMBL2178265 0.82 CRHR1 (0.39) CRHR1HPGDALDH1A1KDM4EPOLB
SCHEMBL545112 0.81 CRHR1 (0.43) CRHR1HPGDALDH1A1KDM4EPOLB
SCHEMBL545548 0.81 NPSR1 (0.41) CRHR1HPGDALDH1A1KDM4EMAPT

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
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-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
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 2/4885HPGD 1818/4885ALDH1A1 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.