SCHEMBL15053233

SCHEMBL15053233

[2H]C([2H])(c1c[nH]c2ncccc12)N1CCc2c(NC(=O)Nc3cccc(Cl)c3)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
P2RY1 P47900 1/20 0.40
IGF1R P08069 2/20 0.40
GAA P10253 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
KDR P35968 2/20 0.39
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BRAF P15056 1/20 0.38
PPIA P62937 2/20 0.37
PTGER3 P43115 1/20 0.37
EPHB4 P54760 1/20 0.37
TEK Q02763 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
SCHEMBL3713909 0.92 KMT2A (0.43) KMT2AMEN1P2RY1IGF1RGAA
SCHEMBL15053310 0.92 RAB9A (0.44) KMT2AMEN1P2RY1SMN1; SMN2NPC1
SCHEMBL15053056 0.91 MAPT (0.41) KMT2AMEN1P2RY1SMN1; SMN2KDM4E
SCHEMBL15053062 0.90 STING1 (0.45) KDRPTGER3EPHB4
SCHEMBL15052932 0.90 KMT2A (0.41) KMT2AMEN1P2RY1IGF1RNPC1
SCHEMBL15053147 0.90 KMT2A (0.40) KMT2AMEN1GAASMN1; SMN2KDR
SCHEMBL15052475 0.90 HTR1A (0.40) KMT2AMEN1POLBALOX15BRAF
SCHEMBL15052980 0.89 BRAF (0.46) KMT2AMEN1GAAPOLBKDM4E
SCHEMBL15053397 0.88 HTT (0.42) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL15053280 0.88 TRPV1 (0.44) P2RY1TP53KDRPOLBBRAF

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 KMT2A 834/4885MEN1 3044/4885P2RY1 3772/4885

“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.