SCHEMBL15077844

SCHEMBL15077844

[2H]C([2H])(c1ccnc(N)c1)N1CCc2c(NC(=O)Nc3cc(Cl)ccc3C)cccc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
GAA P10253 2/20 0.41
TP53 P04637 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
EPHB4 P54760 1/20 0.40
POLB P06746 1/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
IDH2 P48735 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.37
GPR52 Q9Y2T5 1/20 0.37
THRB P10828 1/20 0.36

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
SCHEMBL167233 0.90 ALDH1A1 (0.47) MAPTGAAEPHB4POLBLMNA
SCHEMBL165141 0.88 ALDH1A1 (0.42) MAPTGAAEPHB4POLBLMNA
SCHEMBL15077845 0.84 CCR2 (0.43) MAPTGAATP53TRPV1EPHB4
SCHEMBL166071 0.81 ALDH1A1 (0.42) MAPTGAATP53EPHB4POLB
SCHEMBL15077847 0.78 TRPV1 (0.46) MAPTGAATP53TRPV1EPHB4
SCHEMBL15077850 0.75 CCR2 (0.41) MAPTEPHB4POLBLMNAMEN1
SCHEMBL9989438 0.74 MAPT (0.44) MAPTTP53EPHB4POLBLMNA
SCHEMBL15054097 0.72 BRAF (0.38) MEN1KMT2A
Hydrochloric Acid SCHEMBL15053595 0.71 BRAF (0.37) MEN1KMT2A
SCHEMBL15052734 0.71 ALDH1A1 (0.44) MAPTEPHB4POLBLMNAMEN1

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 1 patent. 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 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 1276/4885GAA 2720/4885TP53 609/4885

“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.