SCHEMBL545442

SCHEMBL545442

CCCCc1cc(C)nc2c(I)c(C)nn12

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 17/20 0.38
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
HTR6 P50406 1/20 0.33
DCTPP1 Q9H773 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
SCHEMBL11608968 0.74 CRHR1 (0.36) CRHR1POLBHPGDHTR6
SCHEMBL2496473 0.72 TSHR (0.36) CRHR1POLBHPGD
SCHEMBL545503 0.72 MAOB (0.38)
SCHEMBL544998 0.72 HPGD (0.36) CRHR1POLBHPGDHTR6
SCHEMBL20529181 0.71 MAPT (0.56) CRHR1POLBHPGDHTR6
SCHEMBL27051757 0.70 MEN1 (0.40) CRHR1POLBHPGD
SCHEMBL23747995 0.69 KDM4E (0.46) CRHR1POLBHPGDHTR6
SCHEMBL5786582 0.68 NPY1R (0.55) CRHR1HPGD
SCHEMBL15104244 0.67 ALDH1A1 (0.39) CRHR1POLBHPGD
SCHEMBL11611387 0.67 HPGD (0.37) CRHR1POLBHPGD

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 2/4885POLB 4655/4885HPGD 1818/4885

“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.