SCHEMBL15053686

SCHEMBL15053686

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
BRAF P15056 3/20 0.40
AURKA O14965 7/20 0.39
AURKB Q96GD4 7/20 0.39
TRPV1 Q8NER1 1/20 0.38
CNR1 P21554 1/20 0.38
BTK Q06187 1/20 0.38
MET P08581 3/20 0.38
LYN P07948 1/20 0.38
IGF1R P08069 1/20 0.38
ROCK1 Q13464 1/20 0.38

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
SCHEMBL15053289 0.92 AURKA (0.44) MAPTSMN1; SMN2JAK2JAK1TYK2
SCHEMBL15053374 0.91 BRAF (0.47) MAPTNPC1ALDH1A1LMNAHTT
SCHEMBL15053228 0.91 FPR2 (0.39) MAPTNPC1LMNAHTTRAB9A
SCHEMBL15053367 0.91 MET (0.40) MAPTNPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL15052740 0.91 RAB9A (0.41) ALDH1A1RAB9ABRAFAURKAAURKB
SCHEMBL3709367 0.91 MAPT (0.43) MAPTNPC1ALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL1456613 0.90 MAPT (0.42) MAPTNPC1ALDH1A1LMNASMN1; SMN2
SCHEMBL15052777 0.89 JAK2 (0.46) NPC1SMN1; SMN2HTTRAB9AJAK2
SCHEMBL15052937 0.89 SMN1; SMN2 (0.40) MAPTALDH1A1LMNASMN1; SMN2BRAF
SCHEMBL15053647 0.89 BRAF (0.46) MAPTHTTRAB9ABRAFAURKA

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 1276/4885NPC1 3123/4885ALDH1A1 4512/4885

“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.