SCHEMBL2453779

SCHEMBL2453779

COc1ccc(CC(=O)Nc2ccc(C)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.78
LMNA P02545 2/20 0.78
ALDH1A1 P00352 4/20 0.75
MAPT P10636 2/20 0.75
RAB9A P51151 2/20 0.75
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
HPGD P15428 2/20 0.74
KDM4E B2RXH2 1/20 0.74
CACNA1B Q00975 1/20 0.74
APBA1 Q02410 1/20 0.74
HSD17B10 Q99714 1/20 0.74
CA12 O43570 1/20 0.68
CA1 P00915 1/20 0.68
CA2 P00918 1/20 0.68
CA9 Q16790 1/20 0.68
GAA P10253 1/20 0.68
EPHX2 P34913 1/20 0.68
KLK7 P49862 1/20 0.65
NPC1 O15118 1/20 0.63

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
SCHEMBL10144743 0.96 SMN1; SMN2 (0.72) SMN1; SMN2LMNAALDH1A1MAPTRAB9A
SCHEMBL30034264 0.94 SMN1; SMN2 (0.88) SMN1; SMN2LMNAALDH1A1MAPTRAB9A
SCHEMBL16542117 0.88 SMN1; SMN2 (0.83) SMN1; SMN2LMNARAB9AMEN1KMT2A
SCHEMBL3923158 0.88 SMN1; SMN2 (0.78) SMN1; SMN2LMNAALDH1A1MAPTRAB9A
SCHEMBL13185621 0.88 SMN1; SMN2 (1.00) SMN1; SMN2LMNAALDH1A1MAPTRAB9A
SCHEMBL5659226 0.86 SMN1; SMN2 (0.76) SMN1; SMN2LMNAALDH1A1MAPTRAB9A
SCHEMBL27432885 0.86 GAA (0.76) SMN1; SMN2LMNAALDH1A1MAPTRAB9A
SCHEMBL13984251 0.86 SMN1; SMN2 (0.76) SMN1; SMN2LMNAALDH1A1MAPTRAB9A
SCHEMBL29769748 0.86 SMN1; SMN2 (0.76) SMN1; SMN2LMNAALDH1A1MAPTRAB9A
SCHEMBL6171613 0.86 RAB9A (1.00) SMN1; SMN2LMNAALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013153-B2 Substituted pyrimidine kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2011-09-06 US disclosed
US-8013153-B2 Substituted pyrimidine kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2011-09-06 US disclosed
US-8013153-B2 Substituted pyrimidine kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2011-09-06 US disclosed
US-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-01 US disclosed
US-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-01 US disclosed
US-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-01 US disclosed
WO-2007109783-A2 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 WO disclosed
WO-2007109783-A2 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 WO 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-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS DTYMK, TK1, DCK SMN1; SMN2 2628/4885LMNA 3668/4885ALDH1A1 2496/4885

“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.