SCHEMBL14213485

SCHEMBL14213485

Cc1nc(N)nc2ccoc12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
HPGD P15428 1/20 0.50
NUDT1 P36639 1/20 0.50
ADORA2A P29274 5/20 0.38
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
DCPS Q96C86 1/20 0.35
TP53 P04637 1/20 0.35
DHFR P00374 5/20 0.35
MAPT P10636 1/20 0.33

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
SCHEMBL3705558 0.79 DCPS (0.47) HSD17B10ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL14213484 0.79 CYP2A6 (0.33) ALDH1A1
SCHEMBL12643902 0.76 ADORA2A (0.38) HSD17B10ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL7607941 0.76 KDM4E (0.35) ALDH1A1MAPT
SCHEMBL22161609 0.76 CYP2A6 (0.31)
SCHEMBL18211812 0.73 AURKA (0.32) ALDH1A1ADORA2AMAPT
SCHEMBL21341741 0.73 ALDH1A1 (0.31) ALDH1A1ADORA2ATP53MAPT
SCHEMBL18924353 0.73 PDE4A (0.39) HSD17B10ALDH1A1ADORA2AMAPT
SCHEMBL16840458 0.73 NUDT1 (0.39) HSD17B10CYP1A2NUDT1ADORA2A
SCHEMBL13169635 0.72 GPR3 (0.55) HSD17B10ALDH1A1CYP1A2HPGDNUDT1

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
EP-3083560-B1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2021-10-27 EP disclosed
US-20120309773-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. 2012-12-06 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-20120309773-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS JAK2, JAK1, JAK3 HSD17B10 2078/4885ALDH1A1 1671/4885CYP1A2 1779/4885

“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.