SCHEMBL15053397

SCHEMBL15053397

[2H]C([2H])(c1c[nH]c2ncccc12)N1CCc2c(NC(=O)Nc3ccccc3Cl)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTR1A P08908 3/20 0.38
HTR2A P28223 3/20 0.38
HTR7 P34969 3/20 0.38
DRD4 P21917 4/20 0.38
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.37
HTR6 P50406 2/20 0.37
CACNA1F O60840 1/20 0.37
CYP1A2 P05177 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
SCHEMBL3703084 0.91 HTR2A (0.43) HTTSMN1; SMN2KMT2AMEN1CASP3
SCHEMBL15053056 0.90 MAPT (0.41) SMN1; SMN2KMT2AMEN1HTR1AHTR2A
SCHEMBL15053310 0.90 RAB9A (0.44) HTTSMN1; SMN2KMT2AMEN1NPC1
SCHEMBL15053224 0.90 ITGB2 (0.40) HTR1AHTR2AHTR7DRD4DRD2
SCHEMBL15052954 0.90 ALDH1A1 (0.40) KMT2AMEN1NPC1RAB9AHTR1A
SCHEMBL15053139 0.90 HTR1A (0.46) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL15053233 0.88 KMT2A (0.42) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL15053277 0.88 LRRK2 (0.38) SMN1; SMN2HTR1AHTR2AHTR7DRD4
SCHEMBL15052603 0.88 BRAF (0.44) HTTSMN1; SMN2KMT2AMEN1CASP3
SCHEMBL15052475 0.88 HTR1A (0.40) KMT2AMEN1HTR1AHTR2AHTR7

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 HTT 1392/4885SMN1; SMN2 3318/4885KMT2A 834/4885

“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.