SCHEMBL16990681

SCHEMBL16990681

CCOc1ccc(C(F)(F)F)cc1NC(=O)NCc1ccc(Oc2ccnc(C(=O)O)c2)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 4/20 0.56
RAF1 P04049 6/20 0.51
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
IDH2 P48735 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
POLB P06746 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
BRAF P15056 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL15575289 0.93 DDR2 (0.65) DDR2RAF1KMT2APPARGPPARD
SCHEMBL15574859 0.92 DDR2 (0.67) DDR2RAF1CYP1A2CYP2C9CYP2C19
SCHEMBL16990580 0.91 DDR2 (0.58) DDR2RAF1KMT2APPARGPPARD
SCHEMBL16990663 0.91 DDR2 (0.54) DDR2RAF1PPARGPPARDPPARA
SCHEMBL16990740 0.91 DDR2 (0.55) DDR2RAF1MEN1KMT2APPARG
SCHEMBL15575243 0.91 DDR2 (0.63) DDR2RAF1CYP1A2CYP2C9CYP2C19
SCHEMBL15574734 0.89 CYP1A2 (0.52) DDR2RAF1CYP1A2CYP2C9CYP2C19
SCHEMBL16990734 0.89 DDR2 (0.53) DDR2RAF1PPARGPPARDPPARA
SCHEMBL16990671 0.88 DDR2 (0.52) DDR2RAF1PPARGPPARDPPARA
SCHEMBL16990669 0.88 DDR2 (0.50) DDR2RAF1PPARGPPARDPPARA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-08-13 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-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS DDR2, DDR1, DDRGK1 DDR2 1/4885RAF1 3072/4885CYP1A2 3796/4885

“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.