SCHEMBL21596867

SCHEMBL21596867

COc1cc(-c2cccc(O)c2)cc2onc(N)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.56
FLT3 P36888 4/20 0.56
ACVR1 Q04771 3/20 0.56
FGFR1 P11362 3/20 0.56
MAP4K2 Q12851 3/20 0.56
ROCK1 Q13464 3/20 0.56
AURKB Q96GD4 3/20 0.56
MAP4K4 O95819 2/20 0.56
PDGFRB P09619 2/20 0.56
PIM1 P11309 2/20 0.56
PDGFRA P16234 2/20 0.56
PRKACA P17612 2/20 0.56
LTK P29376 2/20 0.56
GRK5 P34947 2/20 0.56
CDK8 P49336 2/20 0.56
CDK7 P50613 2/20 0.56
CDK9 P50750 2/20 0.56
LIMK1 P53667 2/20 0.56
MAP2K1 Q02750 2/20 0.56
MST1R Q04912 2/20 0.56

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
SCHEMBL29652439 1.00 KDR (0.56) KDRFLT3ACVR1FGFR1MAP4K2
SCHEMBL21596793 0.85 FYN (0.44) KDRFLT3ACVR1FGFR1MAP4K2
SCHEMBL21596912 0.80 FYN (0.46) KDRFLT3ACVR1FGFR1MAP4K2
SCHEMBL21660538 0.78 KAT6A (0.61)
Hydrochloric Acid SCHEMBL31535978 0.78 CYP3A4 (0.40) KDRFLT3ACVR1FGFR1MAP4K2
SCHEMBL29652491 0.74 NPC1 (0.48) ALDH1A1GAAMAPT
SCHEMBL21596901 0.74 NPC1 (0.48) ALDH1A1GAAMAPT
SCHEMBL26074223 0.73 ADORA2A (0.47) ALKKITMAPT
SCHEMBL1781983 0.73 KDR (0.50) KDRFLT3ACVR1FGFR1MAP4K2
SCHEMBL22954804 0.71 CYP3A4 (0.69) ACVR1FYNBMPR1ATGFBR1ACVRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260062393-A1 Compounds CTXT PTY LTD (AU) 2026-03-05 US disclosed
EP-3810602-B1 COMPOUNDS CTXT PTY LTD (AU) 2023-11-01 EP disclosed
US-20220153710-A1 Compounds CTXT PTY LTD (AU) 2022-05-19 US disclosed
EP-3810602-A1 COMPOUNDS CTXT Pty Limited (AU) 2021-04-28 EP disclosed
US-20200039945-A1 Compounds CTXT PTY LIMITED (AU) 2020-02-06 US disclosed
WO-2019243491-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2019-12-26 WO disclosed
WO-2019243491-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2019-12-26 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-20220153710-A1 Compounds SLC10A1, ABCB11, PCSK9 KDR 4509/4885FLT3 2102/4885ACVR1 2540/4885
US-20200039945-A1 Compounds SLC10A1, ABCB11, PCSK9 KDR 4505/4885FLT3 2101/4885ACVR1 2536/4885
US-20260062393-A1 Compounds SCN2B, ABCB11, SCN1B KDR 1022/4885FLT3 2336/4885ACVR1 1441/4885

“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.