SCHEMBL15575329

SCHEMBL15575329

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

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
DDR2 Q16832 2/20 0.58
PKM P14618 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 3/20 0.52
ALDH1A1 P00352 2/20 0.52
RAF1 P04049 4/20 0.50
POLB P06746 1/20 0.48
MEN1 O00255 2/20 0.48
TP53 P04637 2/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
P2RX3 P56373 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL16990683 0.92 L3MBTL1 (0.62) KMT2ADDR2L3MBTL1ALDH1A1RAF1
SCHEMBL13603627 0.91 DDR2 (0.70) KMT2ADDR2PKML3MBTL1LMNA
SCHEMBL16990665 0.90 DDR2 (0.69) KMT2ADDR2L3MBTL1ALDH1A1RAF1
SCHEMBL16990693 0.89 HDAC1 (0.55) KMT2ADDR2PKML3MBTL1ALDH1A1
SCHEMBL15574683 0.88 DDR2 (0.48) KMT2ADDR2PKML3MBTL1LMNA
SCHEMBL16990724 0.87 RAF1 (0.67) KMT2ADDR2L3MBTL1LMNARAF1
SCHEMBL16990632 0.86 DDR2 (0.57) KMT2ADDR2L3MBTL1ALDH1A1RAF1
SCHEMBL13603562 0.86 DDR2 (0.57) KMT2ADDR2L3MBTL1ALDH1A1RAF1
SCHEMBL15574618 0.86 DDR2 (0.55) KMT2ADDR2L3MBTL1LMNAALDH1A1
SCHEMBL16990655 0.85 DDR2 (0.69) KMT2ADDR2PKML3MBTL1ALDH1A1

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
US-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-08-13 US disclosed
EP-2890380-A2 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS Merck Patent GmbH (DE) 2015-07-08 EP disclosed
WO-2014032755-A2 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2014-03-06 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-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS DDR2, DDR1, DDRGK1 KMT2A 3848/4885DDR2 1/4885PKM 3917/4885

“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.