SCHEMBL5757708

SCHEMBL5757708

O=C(Nc1ccccc1)c1ccc2[nH]c(-c3cc[nH]n3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
ITK Q08881 3/20 0.47
PLAU P00749 2/20 0.46
MAPT P10636 2/20 0.45
POLB P06746 2/20 0.44
TP53 P04637 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PLAT P00750 1/20 0.44
KLKB1 P03952 1/20 0.44
KLK1 P06870 1/20 0.44
PRSS1 P07477 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL5754385 0.91 ITK (0.53) JAK2JAK1ITKPLAUF2
SCHEMBL5755038 0.87 RAB9A (0.54) ITKPLAUMAPTTP53PLG
SCHEMBL5753144 0.85 MAPK1 (0.51) ITKNPC1KDM4EALDH1A1HPGD
SCHEMBL5755623 0.83 ITK (0.55) ITKPLAUKDM4EHPGDHDAC1
SCHEMBL5759216 0.83 ITK (0.51) ITKPLAU
SCHEMBL6489406 0.83 NHERF1 (0.50) JAK2JAK1ITKMAPTPOLB
SCHEMBL5754444 0.82 HRH3 (0.46) ITKPLAUF2PLGPRSS1
SCHEMBL5755558 0.81 HDAC6 (0.48) ITKKDM4EALDH1A1HPGD
SCHEMBL5755542 0.80 RIPK1 (0.44) ITKNPC1RAB9AALDH1A1
SCHEMBL6480600 0.79 CHEK1 (0.43) NPC1RAB9ALMNAKDM4EALDH1A1

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-1648884-A2 PYRAZOLYL-INDOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2006-04-26 EP disclosed
US-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2005-02-10 US disclosed
WO-2005005414-A2 PYRAZOLYL-INDOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2005-01-20 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-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K9, MAP3K20, MAP3K19 JAK2 120/4885JAK1 82/4885ITK 392/4885

“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.