SCHEMBL18780745

SCHEMBL18780745

CN(c1ccc(N)cc1)c1ccnc(Nc2ccccc2N[SH](=O)=O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.43
KIT P10721 4/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
FGFR1 P11362 2/20 0.42
CSF1R P07333 1/20 0.42
PDGFRB P09619 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
EPHB4 P54760 1/20 0.40
PDGFRA P16234 3/20 0.39

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
SCHEMBL18780744 0.84 SCN9A (0.50) KDRKITPDGFRAPARP1KCNH2
SCHEMBL18780742 0.82 KDR (0.52) KDRKITPDGFRACYP3A4CYP2D6
SCHEMBL17261079 0.81 KDR (0.51) KDRKITFGFR1CSF1RPDGFRB
SCHEMBL16665212 0.77 KDR (0.50) KDRKITHDAC3HDAC4HDAC1
SCHEMBL17260967 0.71 KDR (0.55) KDRFGFR1EPHB4CYP3A4CYP2D6
SCHEMBL4812355 0.71 KDR (0.64) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL18780748 0.71 KDR (0.52) KDRKITPDGFRACYP3A4CYP2D6
SCHEMBL16655392 0.70 KDR (0.48) KDRFGFR1EPHB4
SCHEMBL4810259 0.70 KDR (0.75) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17261173 0.70 KDR (0.56) KDRHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114025-A1 METHODS FOR INHIBITING NECROPTOSIS CATALYST THERAPEUTICS PTY LTD (AU) 2017-04-27 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-20170114025-A1 METHODS FOR INHIBITING NECROPTOSIS RIPK1, RIPK3, RIPK2 KDR 4376/4885KIT 3992/4885HDAC3 338/4885

“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.