SCHEMBL16990623

SCHEMBL16990623

Cc1ccc(NC(=O)NCc2ccc(Oc3ccnc(C(=O)O)c3)cc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 7/20 0.49
MET P08581 1/20 0.48
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
GSK3B P49841 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK14 Q16539 1/20 0.42
GCK P35557 1/20 0.42
POLB P06746 1/20 0.42
DDR2 Q16832 2/20 0.42

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
SCHEMBL15574419 0.90 DDR2 (0.53) P2RX3METHDAC1HDAC6GSK3B
SCHEMBL16990603 0.89 HDAC1 (0.59) P2RX3HDAC1HDAC6GSK3BSMN1; SMN2
SCHEMBL16990725 0.88 DDR2 (0.56) P2RX3METHDAC1HDAC6L3MBTL1
SCHEMBL15573219 0.85 GRM5 (0.52) METHDAC1HDAC6GSK3BSMN1; SMN2
SCHEMBL16990654 0.85 HDAC1 (0.55) P2RX3HDAC1HDAC6GSK3BSMN1; SMN2
SCHEMBL15574905 0.84 GCK (0.47) METGSK3BGCK
SCHEMBL15575329 0.82 KMT2A (0.60) P2RX3SMN1; SMN2L3MBTL1POLBDDR2
SCHEMBL15574560 0.82 NPC1 (0.58) SMN1; SMN2MAPK14POLB
SCHEMBL16990706 0.81 RAF1 (0.62) MAPK14
SCHEMBL15573350 0.80 P2RX3 (0.44) P2RX3DDR2

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 P2RX3 540/4885MET 863/4885HDAC1 2366/4885

“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.