SCHEMBL8516146

SCHEMBL8516146

CS(=O)(=O)N(c1cccc(N)c1)C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
CTSD P07339 1/20 0.39
BACE1 P56817 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
LMNA P02545 2/20 0.36
ALDH1A1 P00352 5/20 0.36
TSHR P16473 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MCL1 Q07820 2/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35

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
SCHEMBL8515474 0.94 LMNA (0.38) ESR1CTSDBACE1BACE2LMNA
SCHEMBL2993197 0.81 ESR1 (0.40) ESR1LMNAALDH1A1TSHRCYP3A4
SCHEMBL8516347 0.77 ACHE (0.48) LMNAALDH1A1TSHRKMT2AKDM4E
SCHEMBL27951360 0.75 CYP3A4 (0.41) LMNAALDH1A1TSHRCYP3A4KMT2A
SCHEMBL1466290 0.74 CYP3A4 (0.37) BACE1ALDH1A1CYP3A4KMT2AKDM4E
SCHEMBL1498798 0.74 CYP3A4 (0.39) ESR1LMNAALDH1A1TSHRCYP3A4
SCHEMBL2991577 0.74 CYP3A4 (0.39) ESR1LMNAALDH1A1TSHRCYP3A4
SCHEMBL16423298 0.73 LMNA (0.45) LMNAALDH1A1TSHRCYP3A4L3MBTL1
SCHEMBL2991209 0.72 ALDH1A1 (0.50) LMNAALDH1A1KMT2AKDM4EMEN1
SCHEMBL22574206 0.71 KDM4E (0.32) LMNAALDH1A1CYP3A4KMT2AKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130338147-A1 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-19 US disclosed
US-8507498-B2 4, 6-disubstituted aminopyrimidine derivatives as inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-13 US disclosed
EP-2137166-B1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2012-05-30 EP disclosed
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2011-12-15 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-20130338147-A1 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK2, CDK6, CDK5 ESR1 2132/4885CTSD 2620/4885BACE1 3193/4885
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK6, CDK2, CDK1 ESR1 2125/4885CTSD 2677/4885BACE1 2821/4885

“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.