SCHEMBL31046509

SCHEMBL31046509

c1ccc(Nc2nccc(Nc3cccnc3)n2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.81
NPC1 O15118 4/20 0.81
RAB9A P51151 4/20 0.81
MAPT P10636 3/20 0.81
MAPK1 P28482 3/20 0.81
PRKCD Q05655 2/20 0.81
CHEK1 O14757 1/20 0.81
IKBKB O14920 1/20 0.81
PDPK1 O15530 1/20 0.81
CHEK2 O96017 1/20 0.81
PRKCG P05129 1/20 0.81
CDK1 P06493 1/20 0.81
LYN P07948 1/20 0.81
KIT P10721 1/20 0.81
PIM1 P11309 1/20 0.81
FGFR1 P11362 1/20 0.81
FGFR3 P22607 1/20 0.81
RPS6KB1 P23443 1/20 0.81
CDK2 P24941 1/20 0.81
MARK3 P27448 1/20 0.81

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
SCHEMBL440486 0.90 AURKA (1.00) AURKANPC1RAB9AMAPTMAPK1
SCHEMBL4621303 0.81 NPC1 (0.87) AURKANPC1RAB9AMAPTMAPK1
SCHEMBL5384269 0.81 AURKA (0.87) AURKANPC1RAB9AMAPTMAPK1
SCHEMBL20771413 0.80 ABL1 (0.53) AURKANPC1RAB9AMAPTMAPK1
SCHEMBL4591751 0.78 KMT2A (0.61) NPC1RAB9AMAPTMAPK1PRKCD
SCHEMBL29845262 0.78 KMT2A (0.61) NPC1RAB9AMAPTMAPK1PRKCD
SCHEMBL7775625 0.78 AURKA (0.77) AURKANPC1RAB9AMAPTMAPK1
SCHEMBL7775628 0.78 AURKA (0.77) AURKANPC1RAB9AMAPTMAPK1
SCHEMBL1518621 0.77 MAPK10 (0.67) AURKANPC1RAB9AMAPTMAPK1
SCHEMBL20927073 0.77 AURKA (0.73) AURKANPC1RAB9AMAPTMAPK1

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-20260076973-A1 Compounds and methods for treating diseases caused by SARS-CoV-2 and other coronaviruses Viradem, Inc. (US) 2026-03-19 US disclosed
WO-2024151953-A1 COMPOUNDS AND METHODS FOR TREATING DISEASES CAUSED BY SARS-COV-2 AND OTHER CORONAVIRUSES VIRADEM INC. (US) 2024-07-18 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 (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-20260076973-A1 Compounds and methods for treating diseases caused by SARS-CoV-2 and other coronaviruses ACE2, ACE, SARS1 AURKA 1573/4885NPC1 550/4885RAB9A 2878/4885

“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.