SCHEMBL3518307

SCHEMBL3518307

O=c1cc(-c2ccc3ncccc3c2)c2cccnc2n1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 1/20 0.50
MCL1 Q07820 1/20 0.43
DYRK1A Q13627 1/20 0.43
AR P10275 1/20 0.42
ACVR1 Q04771 3/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
MAT2A P31153 2/20 0.41
GRM4 Q14833 1/20 0.40
CCNC P24863 2/20 0.40
CDK8 P49336 2/20 0.40
METAP2 P50579 1/20 0.40
PSMD14 O00487 1/20 0.40
TP53 P04637 1/20 0.40
MMP2 P08253 1/20 0.40
GSK3B P49841 1/20 0.39
ADORA1 P30542 1/20 0.39
MEN1 O00255 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
SCHEMBL3517459 0.88 GSTP1 (0.44) CCNCCDK8FEN1
SCHEMBL4460861 0.81 FEN1 (0.47) ADORA1KMT2AFEN1
SCHEMBL3517544 0.80 FEN1 (0.42) NPC1RAB9AGSK3BFEN1
SCHEMBL3517754 0.79 PIK3CD (0.52) MEN1KMT2AFEN1
SCHEMBL3515756 0.78 LCK (0.43) CCNCCDK8FEN1
SCHEMBL3519477 0.77 GLO1 (0.41) GSK3BADORA1FEN1
SCHEMBL3514797 0.76 AXL (0.39) NPC1RAB9ADYRK1AACVR1CDK8
SCHEMBL3515077 0.76 PRKCI (0.41) FEN1
SCHEMBL3517681 0.75 PRKCI (0.47) DYRK1AGSK3BFEN1
SCHEMBL3518501 0.75 NPC1 (0.39) POLBNPC1RAB9AMAPTFEN1

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-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 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-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL POLB 25/4885NPC1 463/4885RAB9A 1295/4885

“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.