SCHEMBL16990647

SCHEMBL16990647

O=C(NCc1ccc(Oc2ccnc(C(=O)O)c2)cc1)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.52
RAF1 P04049 8/20 0.52
KDR P35968 3/20 0.50
GSK3B P49841 2/20 0.50
GLA P06280 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
BRAF P15056 3/20 0.49
MEN1 O00255 1/20 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

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
SCHEMBL16990607 0.91 MEN1 (0.53) RAF1KDRGSK3BHTTBRAF
SCHEMBL16990589 0.89 DDR2 (0.51) RAB9ARAF1KDRGSK3BHTT
SCHEMBL15574494 0.89 RAF1 (0.64) RAF1KDRGSK3BBRAFMEN1
SCHEMBL16990674 0.89 KDR (0.47) RAB9ARAF1KDRGSK3BHTT
SCHEMBL13603512 0.89 RAF1 (0.68) RAF1KDRGSK3BBRAFMEN1
SCHEMBL16990602 0.88 MEN1 (0.50) RAB9AKDRMEN1KMT2AMAPK14
SCHEMBL16990596 0.87 DDR2 (0.47) RAF1HTTCA9DDR2P2RX3
SCHEMBL15574560 0.86 NPC1 (0.58) RAB9ARAF1KDRHTTMEN1
SCHEMBL15574278 0.86 RAB9A (0.62) RAB9AGSK3BGLAMAPTHTT
SCHEMBL16990685 0.85 RAB9A (0.54) RAB9ARAF1CSF1REPHX2MAPK14

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 RAB9A 3723/4885RAF1 3072/4885KDR 404/4885

“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.