SCHEMBL168209

SCHEMBL168209

[2H]C([2H])(c1ccnc(N)c1)n1ccc2c(NC(=O)Nc3ccc(Br)cc3)cccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.37
RET P07949 1/20 0.37
KMT2A Q03164 4/20 0.37
FPR2 P25090 4/20 0.37
MEN1 O00255 3/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
HTT P42858 1/20 0.37
ROCK2 O75116 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.35
EGFR P00533 1/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
GSK3A P49840 1/20 0.35

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
SCHEMBL167218 0.92 TRPV1 (0.42) KDRRETMAPTROCK2EGFR
SCHEMBL168670 0.92 MAPT (0.40) KDRRETKMT2AMEN1MAPT
SCHEMBL165124 0.91 RAB9A (0.43) KDRKMT2AMEN1MAPTRAB9A
SCHEMBL167346 0.91 BUB1 (0.43) KDRRETKMT2AMEN1NPC1
SCHEMBL168025 0.91 NPC1 (0.43) KDRKMT2AMEN1NPC1MAPT
SCHEMBL167600 0.89 EPHB4 (0.39) KMT2AMEN1NPC1MAPTRAB9A
SCHEMBL166951 0.89 FGFR1 (0.36) KDRKMT2AFPR2MEN1NPC1
SCHEMBL168978 0.89 ROCK2 (0.47) KMT2AMEN1NPC1MAPTRAB9A
SCHEMBL165126 0.89 SMN1; SMN2 (0.42) KDRKMT2AMEN1MAPTLMNA
SCHEMBL165165 0.89 TRPV1 (0.46) KDRKMT2AMEN1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US 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 1965/4885RET 662/4885KMT2A 834/4885

“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.