SCHEMBL4696735

SCHEMBL4696735

NC(=O)c1cnn(-c2ccc(Br)cc2)c1N

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.71
RAB9A P51151 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
LMNA P02545 1/20 0.61
MAPK14 Q16539 6/20 0.51
ALDH1A1 P00352 3/20 0.49
TSHR P16473 1/20 0.48
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK11 Q15759 1/20 0.45
NPC1 O15118 2/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL594205 0.87 RIPK2 (0.58) RIPK2RAB9ASMN1; SMN2LMNAMAPK14
SCHEMBL2804588 0.84 RIPK2 (0.71) RIPK2RAB9ASMN1; SMN2LMNAMAPK14
SCHEMBL1692019 0.84 RIPK2 (0.71) RIPK2RAB9ASMN1; SMN2LMNAMAPK14
SCHEMBL3830233 0.84 RIPK2 (0.71) RIPK2RAB9ASMN1; SMN2LMNAMAPK14
SCHEMBL2743084 0.83 RIPK2 (1.00) RIPK2RAB9ASMN1; SMN2LMNAMAPK14
SCHEMBL2786396 0.80 MAPK14 (0.70) RIPK2RAB9ASMN1; SMN2LMNAMAPK14
SCHEMBL18216831 0.80 RIPK2 (0.66) RIPK2RAB9ASMN1; SMN2LMNAMAPK14
SCHEMBL4948312 0.79 ALDH1A1 (0.81) RAB9ASMN1; SMN2LMNAALDH1A1TSHR
SCHEMBL10340690 0.78 RIPK2 (0.48) RIPK2RAB9ASMN1; SMN2LMNAMAPK14
SCHEMBL8035072 0.77 RIPK2 (0.61) RIPK2RAB9ASMN1; SMN2LMNAMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275054-A1 3-(Substituted Amino)-Pyrazolo[3, 4-D]Pyrimidines as Ephb and Vegfr2 Kinase Inhibitors HOLZER PHILIPP 2008-11-06 US disclosed
EP-1963327-A1 3-(SUBSTITUTED AMINO)-PYRAZOLO[3,4-d]PYRIMIDINES AS EPHB AND VEGFR2 KINASE INHIBITORS Novartis AG (CH) 2008-09-03 EP disclosed
US-20080096868-A1 1,4 Substituted Pyrazolopyrimidines as Kinase Inhibitors NOVARTIS AG (CH) 2008-04-24 US disclosed
EP-1812441-A1 1,4 SUBSTITUTED PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS Novartis AG (CH) 2007-08-01 EP disclosed
WO-2007062805-A1 3-(SUBSTITUTED AMINO)-PYRAZOLO[3,4-d]PYRIMIDINES AS EPHB AND VEGFR2 KINASE INHIBITORS NOVARTIS AG (CH) 2007-06-07 WO disclosed
WO-2006050946-A1 1,4 SUBSTITUTED PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2006-05-18 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 (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-20080096868-A1 1,4 Substituted Pyrazolopyrimidines as Kinase Inhibitors MAP3K1, MAP4K2, MAP4K5 RIPK2 559/4885RAB9A 2015/4885SMN1; SMN2 1610/4885
US-20080275054-A1 3-(Substituted Amino)-Pyrazolo[3, 4-D]Pyrimidines as Ephb and Vegfr2 Kinase Inhibitors EPHB3, EPHB2, EPHB1 RIPK2 933/4885RAB9A 2817/4885SMN1; SMN2 4803/4885

“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.