SCHEMBL9896162

SCHEMBL9896162

Cc1[nH]c2c(-c3ccc(F)cc3OCC3CC3)ncnc2c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.42
SCN9A Q15858 1/20 0.35
CCNT1 O60563 3/20 0.35
CDK9 P50750 3/20 0.35
USP30 Q70CQ3 2/20 0.35
BACE1 P56817 5/20 0.34
BACE2 Q9Y5Z0 3/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND3 P30281 1/20 0.34
CDK6 Q00534 1/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
PIK3CD O00329 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
ADAM17 P78536 1/20 0.33

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
SCHEMBL9896776 0.95 CDK4 (0.39) DGAT2SCN9ACCNT1CDK9USP30
SCHEMBL9896334 0.92 AXL (0.36) DGAT2SCN9ABACE1ADAM17
SCHEMBL9898437 0.91 KDM5A (0.36) DGAT2CCNT1CDK9KDM5AKDM4C
SCHEMBL16224138 0.91 KDM5A (0.37) DGAT2KDM5AKDM4C
SCHEMBL16224140 0.91 KDM5A (0.37) DGAT2KDM5AKDM4C
SCHEMBL9898435 0.91 KDM5A (0.36) DGAT2CCNT1CDK9KDM5AKDM4C
SCHEMBL9897083 0.90 KDM5A (0.35) DGAT2CCNT1CDK9KDM5AKDM4C
SCHEMBL9897080 0.90 KDM5A (0.35) DGAT2CCNT1CDK9KDM5AKDM4C
SCHEMBL9897737 0.90 CCNT1 (0.39) DGAT2SCN9ACCNT1CDK9USP30
SCHEMBL9896941 0.90 CCNT1 (0.36) CCNT1CDK9CDK4CCND1CCND3

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-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 US disclosed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 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-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE12, PDE4A DGAT2 4409/4885SCN9A 2014/4885CCNT1 1073/4885

“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.