SCHEMBL16990607

SCHEMBL16990607

Cc1cc(NC(=O)NCc2ccc(Oc3ccnc(C(=O)O)c3)cc2)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HTT P42858 1/20 0.53
RAF1 P04049 7/20 0.51
GSK3B P49841 2/20 0.49
KDR P35968 2/20 0.49
BRAF P15056 2/20 0.49
DDR2 Q16832 2/20 0.49
PLK4 O00444 1/20 0.49
CIT O14578 1/20 0.49
AURKA O14965 1/20 0.49
MUSK O15146 1/20 0.49
EPHB6 O15197 1/20 0.49
MAPK13 O15264 1/20 0.49
MLNR O43193 1/20 0.49
MAP3K7 O43318 1/20 0.49
RIPK2 O43353 1/20 0.49
DYRK3 O43781 1/20 0.49
PDE6D O43924 1/20 0.49
NR1I2 O75469 1/20 0.49

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
SCHEMBL16990647 0.91 RAB9A (0.52) MEN1KMT2AHTTRAF1GSK3B
SCHEMBL171188 0.91 RAF1 (0.61) MEN1KMT2ARAF1GSK3BKDR
SCHEMBL14680564 0.89 RAF1 (0.60) MEN1KMT2ARAF1GSK3BKDR
SCHEMBL15574721 0.87 KMT2A (0.58) MEN1KMT2AHTT
SCHEMBL16990589 0.87 DDR2 (0.51) MEN1KMT2AHTTRAF1GSK3B
SCHEMBL16990674 0.86 KDR (0.47) MEN1KMT2AHTTRAF1GSK3B
SCHEMBL13603512 0.86 RAF1 (0.68) MEN1KMT2ARAF1GSK3BKDR
SCHEMBL16990602 0.85 MEN1 (0.50) MEN1KMT2AKDRDDR2MAPK14
SCHEMBL15574560 0.84 NPC1 (0.58) MEN1KMT2AHTTRAF1KDR
SCHEMBL13603562 0.83 DDR2 (0.57) MEN1KMT2AHTTRAF1GSK3B

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 MEN1 4251/4885KMT2A 3848/4885HTT 3579/4885

“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.