SCHEMBL3518138

SCHEMBL3518138

O=c1cc(NC(CN2CCCCC2)c2ccccc2)c2cccnc2n1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 7/20 0.46
AURKB Q96GD4 6/20 0.46
AURKA O14965 1/20 0.46
SCN1A P35498 6/20 0.42
SCN5A Q14524 6/20 0.42
SCN8A Q9UQD0 6/20 0.42
AKT1 P31749 5/20 0.39
INCENP Q9NQS7 5/20 0.39
PDE8B O95263 1/20 0.37
OPRK1 P41145 2/20 0.37
TP53 P04637 2/20 0.36
ALOX15 P16050 2/20 0.36
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL3518012 0.90 SCN1A (0.44) RPS6KB1AURKBAURKASCN1ASCN5A
SCHEMBL3514910 0.78 KDM4E (0.43) TP53KDM4EHTTSMN1; SMN2
SCHEMBL3514723 0.78 KDM4E (0.43) TP53KDM4EHTTSMN1; SMN2
SCHEMBL3516717 0.78 KDM4E (0.43) TP53KDM4EHTTSMN1; SMN2
SCHEMBL3533920 0.73 PIM1 (0.47) LMNANPSR1L3MBTL1
SCHEMBL15060290 0.73 RPS6KB1 (0.68) RPS6KB1AURKBAURKAAKT1INCENP
SCHEMBL3518140 0.71 FEN1 (0.44) AURKATP53ALOX15KDM4EGLA
SCHEMBL3514710 0.71 P2RX7 (0.44) KDM4ELMNACYP2C19RAB9ASMN1; SMN2
SCHEMBL3516223 0.71 BACE1 (0.49) RPS6KB1TP53KDM4ENPC1HTT
SCHEMBL18136095 0.70 FEN1 (0.47) KDM4ECYP1A2CYP2C19

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 RPS6KB1 510/4885AURKB 2440/4885AURKA 2738/4885

“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.