SCHEMBL4486503

SCHEMBL4486503

Nc1nc(Nc2ccccc2)nc2ccccc12

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.96
RAB9A P51151 9/20 0.96
PKM P14618 6/20 0.96
TAAR1 Q96RJ0 4/20 0.96
SMN1; SMN2 Q16637 4/20 0.96
TP53 P04637 2/20 0.96
ALOX15 P16050 2/20 0.96
TSHR P16473 2/20 0.96
NFKB1 P19838 2/20 0.96
NFKB2 Q00653 2/20 0.96
RELA Q04206 2/20 0.96
MAPK1 P28482 1/20 0.96
KMT2A Q03164 6/20 0.77
MEN1 O00255 4/20 0.77
KDM4E B2RXH2 2/20 0.77
ALDH1A1 P00352 1/20 0.77
MAPT P10636 1/20 0.77
HPGD P15428 1/20 0.77
ALOX12 P18054 1/20 0.77
L3MBTL1 Q9Y468 2/20 0.70

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
SCHEMBL29357942 1.00 NPC1 (0.96) NPC1RAB9APKMTAAR1SMN1; SMN2
SCHEMBL21500665 0.89 NPC1 (0.77) NPC1RAB9APKMTAAR1SMN1; SMN2
SCHEMBL21500673 0.89 NPC1 (0.77) NPC1RAB9APKMTAAR1SMN1; SMN2
SCHEMBL24038344 0.87 NPC1 (0.74) NPC1RAB9APKMTAAR1SMN1; SMN2
SCHEMBL21500721 0.86 NPC1 (0.72) NPC1RAB9APKMTAAR1SMN1; SMN2
SCHEMBL22080077 0.85 NPC1 (0.72) NPC1RAB9APKMTAAR1SMN1; SMN2
SCHEMBL16217098 0.85 SLC2A1 (0.97) NPC1RAB9APKMTAAR1SMN1; SMN2
SCHEMBL24038343 0.85 NPC1 (0.70) NPC1RAB9APKMTAAR1SMN1; SMN2
SCHEMBL27223409 0.84 NPC1 (0.74) NPC1RAB9APKMTAAR1SMN1; SMN2
SCHEMBL21497081 0.83 NPC1 (0.68) NPC1RAB9APKMTAAR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739306-A2 POLO-LIKE KINASE 1 INHIBITORS Cervero Therapeutics, LLC (US) 2026-05-13 EP disclosed
US-20240262817-A1 QUINAZOLINE DERIVATIVES TARGETING R(CCUG) REPEATS IN MYOTONIC DYSTROPHY TYPE 2 UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-08-08 US disclosed
US-20210353626-A1 BETA-ADRENERGIC RECEPTOR ALLOSTERIC MODULATORS Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2021-11-18 US disclosed
WO-2019204768-A1 BETA-ADRENERGIC RECEPTOR ALLOSTERIC MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-10-24 WO disclosed
US-7572798-B2 Prevent Dna damage; antitumor, anticancer agents; blocking epidermal growth factor receptor MCGILL UNIVERSITY (CA) 2009-08-11 US disclosed
WO-2008056149-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ARROW THERAPEUTICS LIMITED (GB) 2008-05-15 WO disclosed
EP-1366027-B1 COMBI-MOLECULES HAVING SIGNAL TRANSDUCTION INHIBITORY PROPERTIES AND DNA DAMAGING PROPERTIES UNIV MCGILL (CA) 2006-09-20 EP disclosed
US-20040086907-A1 Combi-molecules having signal transduction inhibitory properties and dna damaging properties QIU, QIYU 2004-05-06 US disclosed
EP-1366027-A1 COMBI-MOLECULES HAVING SIGNAL TRANSDUCTION INHIBITORY PROPERTIES AND DNA DAMAGING PROPERTIES McGILL UNIVERSITY (CA) 2003-12-03 EP disclosed
WO-2002068396-A1 COMBI-MOLECULES HAVING SIGNAL TRANSDUCTION INHIBITORY PROPERTIES AND DNA DAMAGING PROPERTIES MCGILL UNIVERSITY (CA) 2002-09-06 WO 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 (3 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-20240262817-A1 QUINAZOLINE DERIVATIVES TARGETING R(CCUG) REPEATS IN MYOTONIC DYSTROPHY TYPE 2 MBNL1, HNRNPUL1, HNRNPUL2 NPC1 3300/4885RAB9A 2407/4885PKM 3030/4885
US-20210353626-A1 BETA-ADRENERGIC RECEPTOR ALLOSTERIC MODULATORS ADRB1, ADRB2, ADRA2B NPC1 3319/4885RAB9A 1205/4885PKM 2978/4885
US-20040086907-A1 Combi-molecules having signal transduction inhibitory properties and dna damaging properties EGFR, PCNA, ERCC2 NPC1 4825/4885RAB9A 3994/4885PKM 3763/4885

“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.