SCHEMBL17979902

SCHEMBL17979902

Cc1ccc(Nc2nccc(N(C)c3ccc(N)cc3)n2)cc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.51
KDR P35968 16/20 0.51
STK16 O75716 2/20 0.49
CSF1R P07333 2/20 0.49
FLT1 P17948 2/20 0.49
FLT4 P35916 2/20 0.49
MAP3K11 Q16584 2/20 0.49
TAOK2 Q9UL54 2/20 0.49
PARP2 Q9UGN5 1/20 0.49
BMPR1B O00238 1/20 0.48
PLK4 O00444 1/20 0.48
AURKA O14965 1/20 0.48
GAK O14976 1/20 0.48
EPHB6 O15197 1/20 0.48
ABCC4 O15439 1/20 0.48
RIPK2 O43353 1/20 0.48
CA12 O43570 1/20 0.48
PIP5K1C O60331 1/20 0.48
JAK2 O60674 1/20 0.48
STK10 O94804 1/20 0.48

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
SCHEMBL17261067 0.91 KDR (0.50) PARP1KDRSTK16CSF1RFLT1
SCHEMBL17979898 0.90 KDR (0.49) PARP1KDRSTK16CSF1RFLT1
SCHEMBL17979821 0.87 KDR (0.47) PARP1KDRSTK16CSF1RFLT1
SCHEMBL17261173 0.82 KDR (0.56) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL17979841 0.82 KDR (0.70) PARP1KDRAURKAKITPDGFRA
SCHEMBL17979834 0.80 KDR (0.55) KDRAURKARIPK1RIPK3HDAC3
SCHEMBL18763356 0.77 KDR (0.45) KDRSTK16CSF1RFLT1FLT4
SCHEMBL17980014 0.77 HDAC3 (0.47) KDRSTK16CSF1RFLT1FLT4
SCHEMBL18780744 0.76 SCN9A (0.50) PARP1KDRKITPDGFRA
SCHEMBL4812355 0.75 KDR (0.64) PARP1KDRAURKACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180057465-A1 Inhibitors of Necroptosis CATALYST THERAPEUTICS PTY LTD (AU) 2018-03-01 US disclosed
US-20180057465-A1 Inhibitors of Necroptosis CATALYST THERAPEUTICS PTY LTD (AU) 2018-03-01 US disclosed
US-20180057465-A1 Inhibitors of Necroptosis CATALYST THERAPEUTICS PTY LTD (AU) 2018-03-01 US disclosed
EP-3256452-A1 INHIBITORS OF NECROPTOSIS Catalyst Therapeutics Pty Ltd. (AU) 2017-12-20 EP disclosed
WO-2016127213-A1 INHIBITORS OF NECROPTOSIS CATALYST THERAPEUTICS PTY LTD (AU) 2016-08-18 WO disclosed
WO-2016127213-A1 INHIBITORS OF NECROPTOSIS CATALYST THERAPEUTICS PTY LTD (AU) 2016-08-18 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-20180057465-A1 Inhibitors of Necroptosis RIPK3, RIPK1, AIFM1 PARP1 428/4885KDR 4209/4885STK16 67/4885

“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.