SCHEMBL168470

SCHEMBL168470

[2H]C([2H])(c1ccnc(N)c1)n1ccc2c(NC(=O)Nc3cc(C)ccc3F)cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.45
FLT3 P36888 4/20 0.45
LCK P06239 3/20 0.45
FLT1 P17948 3/20 0.45
FLT4 P35916 3/20 0.45
CSF1R P07333 2/20 0.45
KIT P10721 2/20 0.45
PDGFRB P09619 4/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ROCK2 O75116 2/20 0.39
MAP4K4 O95819 2/20 0.39
AXL P30530 2/20 0.39
FRK P42685 2/20 0.39
CLK2 P49760 2/20 0.39
BLK P51451 2/20 0.39
CSNK1G2 P78368 2/20 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
SCHEMBL165718 0.90 FGFR1 (0.40) KDRFLT3LCKFLT1FLT4
SCHEMBL164013 0.90 RAB9A (0.40) NPC1MAPTRAB9ASMN1; SMN2ROCK1
SCHEMBL168329 0.90 CLK4 (0.39) KDRFLT3LCKFLT1FLT4
SCHEMBL166951 0.90 FGFR1 (0.36) KDRFLT3LCKFLT1FLT4
SCHEMBL168256 0.89 ROCK1 (0.44) KDRFLT3FLT1NPC1MAPT
SCHEMBL165124 0.89 RAB9A (0.43) KDRFLT3LCKFLT1FLT4
SCHEMBL168756 0.88 PKM (0.45) MAPTPKMRAB9ASMN1; SMN2NTRK2
SCHEMBL167970 0.88 RIPK1 (0.47) KDRFLT3LCKFLT1FLT4
SCHEMBL169174 0.88 KDR (0.43) KDRFLT3NPC1PKMRAB9A
SCHEMBL166661 0.88 ROCK1 (0.40) KDRFLT3LCKFLT1FLT4

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
EP-2611806-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Ascepion Pharmaceuticals, Inc. (CN) 2013-07-10 EP claimed
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US claimed
WO-2012028106-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2012-03-08 WO claimed
EP-2611806-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Ascepion Pharmaceuticals, Inc. (CN) 2013-07-10 EP disclosed
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US disclosed
WO-2012028106-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2012-03-08 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-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK2, CDK1, CDK3 KDR 1965/4885FLT3 362/4885LCK 198/4885

“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.