SCHEMBL2072133

SCHEMBL2072133

Cc1cc(C)c(-c2cn(C)c3nc(N)[nH]c(=O)c23)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.51
TYMS P04818 8/20 0.49
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
XDH P47989 2/20 0.37
DHFR P00374 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL12820926 0.80 TYMS (0.44) TYMSXDHDHFRCYP1A2
SCHEMBL4626229 0.78 CRHR1 (0.47) CRHR1
SCHEMBL2069734 0.77 CRHR1 (0.65) CRHR1
SCHEMBL13838861 0.77 CRHR1 (0.51) CRHR1XDH
SCHEMBL2070607 0.77 CRHR1 (0.65) CRHR1TYMS
SCHEMBL2071976 0.73 CRHR1 (0.60) CRHR1CYP1A2
SCHEMBL2070441 0.73 CRHR1 (0.54) CRHR1
SCHEMBL18520802 0.73 TYMS (0.44) TYMSXDHDHFR
SCHEMBL2069914 0.73 TYMS (0.41) TYMSXDHCYP1A2
SCHEMBL24905894 0.72 TYMS (0.42) TYMSDHFR

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 3 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-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 1/4885TYMS 3892/4885FGFR1 517/4885

“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.