SCHEMBL15053541

SCHEMBL15053541

[2H]C([2H])(c1ccnc2[nH]ccc12)N1CCc2c(NC(=O)Nc3ccc(Cl)cc3)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.40
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAP3K7 O43318 1/20 0.39
GOT1 P17174 1/20 0.39
BRAF P15056 2/20 0.38
KIT P10721 1/20 0.38
STING1 Q86WV6 1/20 0.38
AURKA O14965 5/20 0.37
AURKB Q96GD4 5/20 0.37
AKT1 P31749 2/20 0.37
AKT2 P31751 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37

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
SCHEMBL15052837 0.92 AURKA (0.42) BTKMAP3K7BRAFAURKAAURKB
SCHEMBL15052980 0.92 BRAF (0.46) BTKALDH1A1MAP3K7GOT1BRAF
SCHEMBL15053103 0.92 MAP3K7 (0.39) BTKMAP3K7GOT1BRAFSTING1
SCHEMBL15053470 0.92 BTK (0.40) BTKHTTRAB9AMAP3K7BRAF
SCHEMBL15053064 0.92 MAP3K7 (0.41) BTKNPC1RAB9ASMN1; SMN2MAP3K7
SCHEMBL3709377 0.92 MAPT (0.41) BTKMAPTNPC1ALDH1A1LMNA
SCHEMBL15052843 0.90 BRAF (0.45) MAPTHTTRAB9AMAP3K7GOT1
SCHEMBL15052603 0.90 BRAF (0.44) BTKNPC1HTTRAB9ASMN1; SMN2
SCHEMBL15054097 0.90 BRAF (0.38) BTKMAP3K7GOT1BRAFAKT1
SCHEMBL15053275 0.90 MAP3K7 (0.44) BTKMAPTNPC1RAB9ASMN1; SMN2

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 BTK 337/4885MAPT 1276/4885NPC1 3123/4885

“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.