SCHEMBL16990674

SCHEMBL16990674

O=C(NCc1ccc(Oc2ccnc(C(=O)O)c2)cc1)Nc1ccnc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.47
P2RX3 P56373 8/20 0.46
RAF1 P04049 2/20 0.46
SMARCA2 P51531 2/20 0.45
SMARCA4 P51532 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GSK3B P49841 1/20 0.45
MAPK14 Q16539 1/20 0.44
NAMPT P43490 1/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL171244 0.89 MAPK14 (0.58) KDRP2RX3RAF1GSK3BMAPK14
SCHEMBL16990647 0.89 RAB9A (0.52) KDRP2RX3RAF1RAB9AGSK3B
SCHEMBL16990602 0.88 MEN1 (0.50) KDRP2RX3NPC1RAB9AMAPK14
SCHEMBL15574560 0.87 NPC1 (0.58) KDRRAF1NPC1RAB9AMAPK14
SCHEMBL16990607 0.86 MEN1 (0.53) KDRP2RX3RAF1GSK3BMAPK14
SCHEMBL16990589 0.84 DDR2 (0.51) KDRP2RX3RAF1NPC1RAB9A
SCHEMBL16990685 0.84 RAB9A (0.54) P2RX3RAF1NPC1RAB9AMAPK14
SCHEMBL13603512 0.84 RAF1 (0.68) KDRRAF1GSK3BMAPK14MEN1
SCHEMBL16990596 0.83 DDR2 (0.47) P2RX3RAF1HTT
SCHEMBL15573350 0.82 P2RX3 (0.44) P2RX3RAF1NAMPT

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 KDR 404/4885P2RX3 540/4885RAF1 3072/4885

“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.