Sugi Predict

Sugi Predict / Compounds / SCHEMBL2242579

SCHEMBL2242579

SCHEMBL2242579

CS(=O)(=O)n1cc(CCNc2cc(-c3cccnc3)nc(-c3ccccn3)n2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.41
▸ PTGDR Q13258 3/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ IDE P14735 2/20 0.39
▸ USP2 O75604 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CLK4 Q9HAZ1 2/20 0.37
▸ NR1D1 P20393 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GBA1 P04062 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ SLC2A1 P11166 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL2239882 0.88 PTGDR (0.42) HTR6PTGDRCYP3A4CYP2C9USP2
SCHEMBL2238908 0.85 CYP1A2 (0.51) HTR6CYP3A4CYP2C9IDEUSP2
SCHEMBL4771517 0.79 PTGDR (0.40) PTGDRCYP3A4CYP2C9USP2CYP1A2
SCHEMBL2239000 0.78 CYP3A4 (0.44) PTGDRCYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL4768768 0.78 PTGDR (0.53) PTGDRCYP3A4CYP2C9ALDH1A1CYP2A6
SCHEMBL4775435 0.77 HTR1A (0.40) HTR6PTGDRCYP3A4CYP2C9ROS1
SCHEMBL2237295 0.77 CYP2A6 (0.45) PTGDRCYP3A4CYP2C9USP2CYP1A2
SCHEMBL3962080 0.77 CDK4 (0.58) PTGDRCYP3A4CYP2C9USP2CYP1A2
SCHEMBL2243750 0.77 PTGDR (0.41) PTGDRCYP3A4CYP2C9USP2CYP1A2
SCHEMBL2238098 0.77 PTGDR (0.53) PTGDRCYP3A4CYP2C9USP2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044056-B1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2012-08-22 — — EP claimed
US-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors NOVARTIS AG (CH) 2009-08-20 — — US claimed
EP-2044056-A1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS Novartis Ag (CH) 2009-04-08 — — EP claimed
WO-2008006583-A1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2008-01-17 — — WO claimed
EP-2044056-B1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2012-08-22 — — EP disclosed
US-7989458-B2 Pyrimidine derivatives as alk-5 inhibitors NOVARTIS AG (CH) 2011-08-02 — — US disclosed
US-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors NOVARTIS AG (CH) 2009-08-20 — — US disclosed
EP-2044056-A1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS Novartis Ag (CH) 2009-04-08 — — EP disclosed
WO-2008006583-A1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2008-01-17 — — 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-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors ALK, ACVR1, MUSK HTR6 4049/4885PTGDR 1588/4885CYP3A4 1519/4885

“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.