SCHEMBL15053384

SCHEMBL15053384

[2H]C([2H])(c1c[nH]c2ncccc12)N1CCc2c(NC(=O)Nc3cc(C)ccc3F)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.41
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
KDR P35968 13/20 0.38
KIT P10721 2/20 0.36
FLT3 P36888 2/20 0.36
LCK P06239 1/20 0.36
CSF1R P07333 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
PDGFRB P09619 1/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MTNR1A P48039 1/20 0.35
USP30 Q70CQ3 1/20 0.35
PDPK1 O15530 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
SCHEMBL3697432 0.92 HTR1A (0.44) BRAFHTR1AHTR2AHTR7KDR
SCHEMBL15052475 0.91 HTR1A (0.40) BRAFHTR1AHTR2AHTR7MTNR1A
SCHEMBL15053935 0.91 HTR2A (0.37) BRAFHTR1AHTR2AHTR7MAPT
SCHEMBL15052967 0.91 HTR2A (0.39) BRAFHTR1AHTR2AHTR7MTNR1A
SCHEMBL15053139 0.90 HTR1A (0.46) BRAFHTR1AHTR2AHTR7NPC1
SCHEMBL15053552 0.90 FGFR1 (0.41) BRAFHTR1AHTR2AHTR7KDR
SCHEMBL15053308 0.89 RIPK1 (0.46) BRAFHTR2AHTR7KDR
SCHEMBL15052540 0.89 HTR1A (0.42) HTR1AHTR2AHTR7MAPTPKM
SCHEMBL15053898 0.89 KDR (0.41) BRAFKDRKITFLT3LCK
SCHEMBL15053147 0.89 KMT2A (0.40) BRAFKDRPDGFRBMAPTPKM

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 2 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
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 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-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK2, CDK1, CDK3 BRAF 90/4885HTR1A 3184/4885HTR2A 2861/4885

“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.