SCHEMBL5246243

SCHEMBL5246243

O=C(O)CNc1nc(Cl)ncc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.49
STK17A Q9UEE5 1/20 0.49
MAPT P10636 1/20 0.43
CCNT1 O60563 1/20 0.38
EGLN1 Q9GZT9 4/20 0.38
PLAU P00749 2/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATM Q13315 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
MAP4K4 O95819 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36

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
SCHEMBL28216784 0.83 STK17A (0.53) STK17BSTK17AALDH1A1L3MBTL1ATM
SCHEMBL12798437 0.82 STK17A (0.47) STK17BSTK17AALDH1A1L3MBTL1S100A9
SCHEMBL20980103 0.81 POLB (0.41) STK17BSTK17AMAPTPLAUALDH1A1
SCHEMBL21599136 0.81 JAK3 (0.41) MAPTPLAU
SCHEMBL7491353 0.79 MAPT (0.64) STK17AMAPTL3MBTL1SIRT5PIN1
SCHEMBL21352288 0.76 STK17A (0.63) STK17BSTK17ASIRT5
SCHEMBL21352293 0.76 STK17A (0.67) STK17BSTK17ASIRT5
SCHEMBL14524671 0.76 STK17B (0.47) STK17BSTK17AALDH1A1L3MBTL1KDM4E
SCHEMBL10229480 0.76 STK17A (0.55) STK17BSTK17AALDH1A1L3MBTL1SIRT5
SCHEMBL1938460 0.75 STK17A (0.51) STK17BSTK17AALDH1A1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831181-A2 PYRIMIDINE INHIBITORS OF ERK PROTEIN KINASE AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2007-09-12 EP disclosed
US-20060142572-A1 Inhibitors of ERK protein kinase and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2006-06-29 US disclosed
WO-2006065820-A2 PYRIMIDINE INHIBITORS OF ERK PROTEIN KINASE AND USES THEROF VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-22 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-20060142572-A1 Inhibitors of ERK protein kinase and uses thereof MAPK1, MAP3K1, MAP3K20 STK17B 248/4885STK17A 199/4885MAPT 2660/4885

“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.