SCHEMBL4102091

SCHEMBL4102091

COc1ccc(-c2cc(Nc3ccc(C)c(NS(C)(=O)=O)c3)ncn2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.77
CDK9 P50750 4/20 0.68
CCNT1 O60563 3/20 0.68
ABL1 P00519 6/20 0.60
BCR P11274 6/20 0.60
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAP4K4 O95819 1/20 0.49
CDK1 P06493 1/20 0.49
CDK4 P11802 1/20 0.49
CCNB1 P14635 1/20 0.49
CCND1 P24385 1/20 0.49
ABL2 P42684 1/20 0.49
GSK3A P49840 1/20 0.49
CDK7 P50613 1/20 0.49
CCNH P51946 1/20 0.49
MNAT1 P51948 1/20 0.49
USP2 O75604 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL4097935 0.89 BACE1 (0.75) BACE1CDK9CCNT1ABL1BCR
SCHEMBL4109321 0.86 BACE1 (1.00) BACE1CDK9CCNT1ABL1BCR
SCHEMBL8515489 0.84 CCNT1 (0.68) BACE1CDK9CCNT1ABL1BCR
SCHEMBL4108736 0.84 BACE1 (0.81) BACE1CDK9CCNT1ABL1BCR
SCHEMBL4097445 0.83 BACE1 (0.77) BACE1CDK9CCNT1ABL1BCR
SCHEMBL4108631 0.81 BACE1 (0.81) BACE1CDK9CCNT1MAP4K4CDK1
SCHEMBL4108155 0.81 CDK9 (1.00) BACE1CDK9CCNT1MAP4K4CDK1
SCHEMBL4103718 0.80 BACE1 (0.78) BACE1CDK9CCNT1ABL1BCR
SCHEMBL4101898 0.80 CCNT1 (1.00) BACE1CDK9CCNT1ABL1BCR
SCHEMBL15492341 0.79 MEN1 (0.57) BACE1CDK9CCNT1ABL1BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678147-B1 PHARMACEUTICALLY ACTIVE 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS MODULATORS OF PROTEIN KINASES LEAD DISCOVERY CENTER GMBH (DE) 2012-08-08 EP claimed
US-20090221581-A1 Methods of treating pain ASTRAZENECA AB (SE) 2009-09-03 US claimed
US-8084457-B2 Pharmaceutically active 4,6-disubstituted aminopyrimidine derivatives as modulators of protein kinases LEAD DISCOVERY CENTER GMBH (DE) 2011-12-27 US disclosed
US-20090221581-A1 Methods of treating pain ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20070191344-A1 Pharmaceutically active 4,6-disubstituted aminopyrimidine derivatives as modulators of protein kinases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-08-16 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-20070191344-A1 Pharmaceutically active 4,6-disubstituted aminopyrimidine derivatives as modulators of protein kinases DAPK1, DUSP4, MARK4 BACE1 1494/4885CDK9 137/4885CCNT1 2075/4885
US-20090221581-A1 Methods of treating pain CDK5, CAMKK2, CDK3 BACE1 4371/4885CDK9 97/4885CCNT1 81/4885

“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.