SCHEMBL13871089

SCHEMBL13871089

O=Nc1cccc2[nH]c(=O)c(-c3cccc(I)c3F)nc12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ STK33 Q9BYT3 6/20 0.35
▸ CDK4 P11802 10/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAPK8 P45983 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ CDK1 P06493 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ CDK6 Q00534 2/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL13871083 0.81 NPC1 (0.36) NPC1RAB9ASTK33CDK4MEN1
SCHEMBL13866113 0.79 PKN1 (0.44) NPC1RAB9ACDK4MEN1KMT2A
SCHEMBL5667203 0.78 RAB9A (0.59) NPC1RAB9ASTK33CDK4MEN1
SCHEMBL5666574 0.74 CDK4 (0.34) NPC1RAB9ASTK33CDK4MEN1
SCHEMBL13865841 0.71 MGAM (0.52) NPC1RAB9AMAPK8MAPK9MAPK10
SCHEMBL8520222 0.65 PARP1 (0.53) MAPK8MAPK9MAPK10KDM4E
SCHEMBL8520766 0.65 NPC1 (0.46) NPC1RAB9AMAPK8MAPK9MAPK10
SCHEMBL13673378 0.65 POLB (0.49) MEN1KMT2AMAPK8MAPK9MAPK10
SCHEMBL17591301 0.58 PARP1 (0.50) MEN1KMT2AMAPK8MAPK9GSK3B
SCHEMBL31663463 0.57 DAO (0.45) KDM4E

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-20090137597-A1 Novel quinoxalinone derivatives MSD K.K. (JP) 2009-05-28 — — US disclosed
US-7388010-B2 Quinoxalinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-17 — — 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-20090137597-A1 Novel quinoxalinone derivatives NDUFB1, NDUFB6, NDUFB7 NPC1 1218/4885RAB9A 1059/4885STK33 2928/4885

“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.

Send feedback