SCHEMBL16990724

SCHEMBL16990724

COc1ccc(C(F)(F)F)cc1NC(=O)NCc1ccc(Oc2ccnc(C(=O)O)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 12/20 0.67
DDR2 Q16832 3/20 0.64
L3MBTL1 Q9Y468 1/20 0.52
BRAF P15056 1/20 0.50
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NAMPT P43490 1/20 0.46

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
SCHEMBL15575243 0.92 DDR2 (0.63) RAF1DDR2L3MBTL1KMT2A
SCHEMBL15574167 0.92 DDR2 (0.62) RAF1DDR2KMT2ASMN1; SMN2
SCHEMBL15574602 0.91 RAF1 (0.78) RAF1DDR2L3MBTL1BRAFKMT2A
SCHEMBL16990638 0.91 RAF1 (0.57) RAF1DDR2L3MBTL1BRAFKMT2A
SCHEMBL15575289 0.91 DDR2 (0.65) RAF1DDR2L3MBTL1BRAFKMT2A
SCHEMBL16990618 0.90 DDR2 (0.60) RAF1DDR2BRAFKMT2A
SCHEMBL16990585 0.89 DDR2 (0.62) RAF1DDR2KMT2A
SCHEMBL16990712 0.89 DDR2 (0.60) RAF1DDR2L3MBTL1BRAF
SCHEMBL16990683 0.89 L3MBTL1 (0.62) RAF1DDR2L3MBTL1KMT2ASMN1; SMN2
SCHEMBL16990661 0.89 DDR2 (0.59) RAF1DDR2BRAF

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 RAF1 3072/4885DDR2 1/4885L3MBTL1 3554/4885

“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.