SCHEMBL167970

SCHEMBL167970

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.47
KDR P35968 7/20 0.44
EPHB4 P54760 1/20 0.44
TEK Q02763 1/20 0.44
BRAF P15056 8/20 0.41
KIT P10721 3/20 0.41
FLT3 P36888 3/20 0.41
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CSF1R P07333 1/20 0.41
LYN P07948 1/20 0.41
SRC P12931 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
BLK P51451 1/20 0.41
PDGFRB P09619 1/20 0.40
RET P07949 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 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
SCHEMBL5592775 0.92 RIPK1 (0.49) RIPK1KDREPHB4TEKBRAF
SCHEMBL165165 0.90 TRPV1 (0.46) RIPK1KDREPHB4TEKBRAF
SCHEMBL167806 0.89 TRPV1 (0.48) RIPK1KDREPHB4TEKBRAF
SCHEMBL165718 0.89 FGFR1 (0.40) RIPK1KDREPHB4KITFLT3
SCHEMBL167503 0.89 KDR (0.46) KDREPHB4TEKBRAF
SCHEMBL164013 0.89 RAB9A (0.40) CA12CA1CA2CA9
SCHEMBL168470 0.88 KDR (0.45) KDRKITFLT3LCKCSF1R
SCHEMBL166951 0.88 FGFR1 (0.36) RIPK1KDREPHB4TEKKIT
SCHEMBL168349 0.87 KDR (0.42) RIPK1KDREPHB4TEKBRAF
SCHEMBL167322 0.86 KDM4E (0.44) RIPK1KDRFLT3LCKCSF1R

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 RIPK1 438/4885KDR 1965/4885EPHB4 3126/4885

“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.