SCHEMBL8515474

SCHEMBL8515474

CS(=O)(=O)N(c1cccc(N)c1)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA4 P22748 1/20 0.37
CA14 Q9ULX7 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 1/20 0.34
CASP1 P29466 1/20 0.34
RECQL P46063 1/20 0.34
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
HTR6 P50406 2/20 0.34
DDB1 Q16531 4/20 0.34
CRBN Q96SW2 4/20 0.34

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
SCHEMBL8516146 0.94 ESR1 (0.40) LMNACA12CA1CA2CA9
SCHEMBL2991577 0.80 CYP3A4 (0.39) LMNACA12CA1CA2CA9
SCHEMBL22574206 0.76 KDM4E (0.32) LMNAALDH1A1CYP3A4
SCHEMBL8514913 0.76 MAPT (0.46) LMNACA2ALDH1A1TSHRTDP1
SCHEMBL16423298 0.75 LMNA (0.45) LMNACA12CA1CA2CA9
SCHEMBL24054689 0.74 CYP3A4 (0.41) LMNACA12CA1CA2CA9
SCHEMBL2991209 0.74 ALDH1A1 (0.50) LMNACA12CA1CA2CA9
SCHEMBL4428801 0.73 POLB (0.42) LMNACA12CA1CA2CA9
SCHEMBL2993197 0.73 ESR1 (0.40) LMNAALDH1A1TSHRHSD17B10TDP1
SCHEMBL16825641 0.73 SLC6A2 (0.45) ALDH1A1HTR6SLC6A2SLC6A4SLC6A3

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
WO-2016035008-A1 PYRIDOPYRIMIDINE DERIVATIVES AS MEK INHIBITORS LUPIN LIMITED (IN) 2016-03-10 WO disclosed
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 LMNA 3297/4885CA12 4871/4885CA1 4553/4885
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK6, CDK2, CDK1 LMNA 3616/4885CA12 4881/4885CA1 4763/4885

“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.