SCHEMBL2070434

SCHEMBL2070434

Cc1cc(C)c(-c2cn(C)c3nc(NC(C)(C)C(=O)c4ccccc4)n(C)c(=O)c23)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.49
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
WEE1 P30291 2/20 0.34
DHODH Q02127 1/20 0.32
TP53 P04637 1/20 0.32
SRC P12931 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
SYK P43405 1/20 0.31
CYP2C19 P33261 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
BRD7 Q9NPI1 1/20 0.31

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
SCHEMBL2070629 0.82 CRHR1 (0.55) CRHR1KDM4E
SCHEMBL2071628 0.74 CRHR1 (0.58) CRHR1TP53
SCHEMBL2071464 0.74 CRHR1 (0.53) CRHR1ALDH1A1
SCHEMBL2073108 0.74 CRHR1 (0.63) CRHR1ALDH1A1SYK
SCHEMBL2072033 0.71 CRHR1 (0.52) CRHR1ALDH1A1
SCHEMBL2072338 0.71 CRHR1 (0.62) CRHR1KDM4ETP53
SCHEMBL2070099 0.71 CRHR1 (0.62) CRHR1ALDH1A1
SCHEMBL2070607 0.71 CRHR1 (0.65) CRHR1KDM4EBRD9BRD7
SCHEMBL2069473 0.70 CRHR1 (0.73) CRHR1ALDH1A1TP53
SCHEMBL2072342 0.69 CRHR1 (0.57) CRHR1KDM4E

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-2522670-A1 Heterocyclic CRF receptor antagonists Takeda Pharmaceutical Company Limited (JP) 2012-11-14 EP disclosed
US-7897607-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-01 US disclosed
US-7897607-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-01 US disclosed
US-7897607-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-01 US disclosed
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 US disclosed
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 US disclosed
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 US 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-20070179165-A1 Cyclic compounds CRHR1, CRHR2, MC2R CRHR1 1/4885KDM4E 3537/4885ALDH1A1 786/4885

“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.