SCHEMBL1883994

SCHEMBL1883994

Cc1cccc2cc(CO)c(-c3cccnc3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
CYP2A6 P11509 2/20 0.47
CYP11B1 P15538 5/20 0.46
CYP11B2 P19099 4/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDK1 Q15118 1/20 0.41
PIK3CD O00329 4/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
RECQL P46063 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL3658422 0.90 KDM4E (0.44) KDM4ELMNAHTTCYP2A6CYP11B1
SCHEMBL1887862 0.85 MEN1 (0.48) KDM4EKMT2AMEN1GAAL3MBTL1
SCHEMBL3655357 0.85 CYP2A6 (0.44) KDM4ELMNAHTTCYP2A6CYP11B1
SCHEMBL455643 0.84 CYP11B1 (0.43) KDM4ELMNACYP2A6CYP11B1CYP11B2
SCHEMBL1886286 0.82 PIK3CD (0.54) KMT2AMEN1RAB9AL3MBTL1PIK3CD
SCHEMBL1879223 0.81 MEN1 (0.47) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL1878618 0.78 ATM (0.52) KMT2AMEN1L3MBTL1PIK3CD
SCHEMBL1879180 0.78 PIK3CD (0.57) KMT2AMEN1PIK3CD
SCHEMBL1883922 0.78 CYP2A6 (0.46) KDM4ELMNAHTTCYP2A6CYP11B1
SCHEMBL1883927 0.78 MEN1 (0.42) KMT2AMEN1L3MBTL1PIK3CD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399483-B2 Quinoxaline and quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2013-03-19 US disclosed
US-20110105508-A1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA, S.A. (BE) 2011-05-05 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-20110105508-A1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS PDXK, PDPK1, PIKFYVE KDM4E 2230/4885LMNA 4352/4885HTT 1378/4885

“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.