SCHEMBL15053283

SCHEMBL15053283

[2H]C([2H])(c1ccnc2[nH]ccc12)n1ccc2c(NC(=O)Nc3ccc(OC)cc3)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
MECP2 P51608 1/20 0.43
CIT O14578 2/20 0.43
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
BRAF P15056 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
MET P08581 4/20 0.41
KDR P35968 1/20 0.41
MAPK14 Q16539 1/20 0.41
TNNI3K Q59H18 1/20 0.41
BTK Q06187 1/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 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
SCHEMBL15053299 0.95 BRAF (0.40) MAPTSMN1; SMN2MAPK1TP53MECP2
SCHEMBL15053398 0.92 CYP2D6 (0.50) MAPTMAPK1CITKDM4EMEN1
SCHEMBL3702438 0.92 SMN1; SMN2 (0.45) MAPTSMN1; SMN2MAPK1TP53MECP2
Hydrochloric Acid SCHEMBL28814343 0.91 MAPT (0.44) MAPTSMN1; SMN2MAPK1TP53MECP2
SCHEMBL15052740 0.91 RAB9A (0.41) MAPK1KDM4EALDH1A1BRAFMET
SCHEMBL15053289 0.90 AURKA (0.44) MAPTSMN1; SMN2CITKDM4EMEN1
SCHEMBL15053102 0.90 KDR (0.44) BRAFKDRMAPK14TNNI3KRAB9A
SCHEMBL15052968 0.90 MEN1 (0.46) MAPTSMN1; SMN2MAPK1TP53KDM4E
SCHEMBL15053686 0.89 MAPT (0.41) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL15053367 0.89 MET (0.40) MAPTSMN1; SMN2KDM4EMEN1ALDH1A1

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 MAPT 1276/4885SMN1; SMN2 3318/4885MAPK1 138/4885

“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.