SCHEMBL16990622

SCHEMBL16990622

COc1ccc(Cl)cc1NC(=O)NCc1ccc(Oc2ccnc(C(=O)O)c2)c(C)c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 2/20 0.84
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
IGF1R P08069 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 2/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL13603518 0.91 DDR2 (1.00) DDR2ALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL16990616 0.90 DDR2 (0.70) DDR2ALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL15574694 0.90 DDR2 (0.70) DDR2ALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL16990590 0.90 DDR2 (0.70) DDR2ALDH1A1MAPTTP53KMT2A
SCHEMBL16990665 0.90 DDR2 (0.69) DDR2ALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL15575289 0.87 DDR2 (0.65) DDR2KMT2AL3MBTL1LMNA
SCHEMBL16990591 0.86 DDR2 (0.63) DDR2ALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL171246 0.83 DDR2 (0.86) DDR2KMT2AMEN1RAB9A
SCHEMBL16990652 0.83 DDR2 (0.64) DDR2CYP1A2CYP2C19
SCHEMBL16990668 0.83 DDR2 (0.60) DDR2ALDH1A1MAPTKMT2AL3MBTL1

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 1/4885ALDH1A1 2098/4885CYP1A2 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.