SCHEMBL14754890

SCHEMBL14754890

CCc1cncc(C(=O)N(C)CCN)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ SMYD3 Q9H7B4 1/20 0.44
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP11B2 P19099 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ PRMT6 Q96LA8 1/20 0.34
▸ NAMPT P43490 2/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ PAK4 O96013 1/20 0.32
▸ RET P07949 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ CDK8 P49336 1/20 0.32

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
SCHEMBL14754870 0.87 KMT2A (0.45) KMT2ASMYD3MAPTHTTSMN1; SMN2
SCHEMBL17297327 0.82 HCAR2 (0.50) KMT2ASMYD3KDM4EMEN1ALDH1A1
SCHEMBL10174932 0.81 SMYD3 (0.47) KMT2ASMYD3MAPTHTTSMN1; SMN2
SCHEMBL23074454 0.78 KDM4E (0.54) KMT2AMAPTHTTSMN1; SMN2KDM4E
SCHEMBL20987766 0.78 KMT2A (0.39) KMT2AKDM4EMEN1ALDH1A1CYP11B2
SCHEMBL14752177 0.78 ESRRG (0.40) KMT2AKDM4EMEN1ALDH1A1CYP11B2
SCHEMBL9607829 0.74 SMYD3 (0.52) SMYD3MAPTHTTSMN1; SMN2KDM4E
SCHEMBL31046827 0.74 SMYD3 (0.52) SMYD3MAPTHTTSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL29793528 0.73 SMYD3 (0.51) SMYD3MAPTHTTSMN1; SMN2KDM4E
SCHEMBL7662074 0.73 KMT2A (0.45) KMT2AMAPTKDM4EMEN1ALDH1A1

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-20130059835-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2013-03-07 — — 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-20130059835-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB KMT2A 757/4885SMYD3 1123/4885MAPT 4386/4885

“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.

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