SCHEMBL31046394

SCHEMBL31046394

COc1cccc(Nc2ccnc(Nc3ccccc3)n2)c1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.92
IGF1R P08069 5/20 0.76
KDR P35968 2/20 0.68
AURKA O14965 3/20 0.68
NPC1 O15118 2/20 0.68
MAPT P10636 2/20 0.68
MAPK1 P28482 2/20 0.68
RAB9A P51151 2/20 0.68
CHEK1 O14757 1/20 0.68
IKBKB O14920 1/20 0.68
PDPK1 O15530 1/20 0.68
CHEK2 O96017 1/20 0.68
PRKCG P05129 1/20 0.68
CDK1 P06493 1/20 0.68
LYN P07948 1/20 0.68
KIT P10721 1/20 0.68
PIM1 P11309 1/20 0.68
FGFR1 P11362 1/20 0.68
FGFR3 P22607 1/20 0.68
RPS6KB1 P23443 1/20 0.68

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
SCHEMBL1377802 0.96 EGFR (1.00) EGFRIGF1RKDRAURKANPC1
SCHEMBL17915954 0.88 EGFR (0.84) EGFRIGF1RKDRNPC1MAPT
SCHEMBL1116424 0.87 EGFR (0.83) EGFRIGF1RKDRAURKANPC1
SCHEMBL6976694 0.86 EGFR (0.81) EGFRIGF1RKDRCDK2ROCK1
SCHEMBL270162 0.84 EGFR (0.78) EGFRIGF1RKDRAURKANPC1
SCHEMBL301779 0.84 EGFR (0.78) EGFRIGF1RKDRNPC1MAPT
SCHEMBL10143423 0.83 EGFR (0.64) EGFRIGF1RKDRNPC1MAPT
SCHEMBL4544861 0.82 KCNH3 (0.70) EGFRKDRNPC1MAPTMAPK1
SCHEMBL4544834 0.82 KCNH3 (0.70) EGFRKDRNPC1MAPTMAPK1
SCHEMBL6971010 0.82 EGFR (0.74) EGFRIGF1RKDRCDK2ROCK1

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 EGFR 471/4885IGF1R 4359/4885KDR 1025/4885

“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.