SCHEMBL19682139

SCHEMBL19682139

CCCC(C)Cc1ccnc2ccnn12

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.33
AAK1 Q2M2I8 1/20 0.31
AKT1 P31749 1/20 0.30

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
SCHEMBL9911039 0.77 DGAT1 (0.34) DGAT1AAK1
SCHEMBL20798991 0.74 KDM5A (0.45) DGAT1
SCHEMBL11049763 0.73 KDM5A (0.41) DGAT1
SCHEMBL22020577 0.72 CDK8 (0.40)
SCHEMBL25486906 0.71 CCNT1 (0.32) DGAT1
SCHEMBL23529925 0.70 DGAT1 (0.36) DGAT1AKT1
SCHEMBL19175994 0.69 DGAT1 (0.38) DGAT1AAK1
SCHEMBL23869471 0.69 CCNT1 (0.39) DGAT1AAK1AKT1
SCHEMBL26199687 0.69 TLR7 (0.34)
SCHEMBL4569211 0.66 DGAT1 (0.43) DGAT1AAK1

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-10301280-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-05-28 US disclosed
US-20170349572-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-12-07 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 (2 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-10301280-B2 Compounds and methods for kinase modulation, and indications therefor KIT, PRKCH, PRKACA DGAT1 4286/4885AAK1 380/4885AKT1 42/4885
US-20170349572-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, PRKCH, PRKACA DGAT1 4286/4885AAK1 380/4885AKT1 42/4885

“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.