SCHEMBL5755038

SCHEMBL5755038

COc1ccc(NC(=O)c2ccc3[nH]c(-c4cc[nH]n4)cc3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.54
NPC1 O15118 8/20 0.54
CASP3 P42574 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
PLAU P00749 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
TP53 P04637 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
ALOX15 P16050 1/20 0.50
MAPT P10636 1/20 0.48
ITK Q08881 1/20 0.47
KCNQ2 O43526 1/20 0.47
ABCB1 P08183 1/20 0.46
PLG P00747 1/20 0.46
PLAT P00750 1/20 0.46
XDH P47989 1/20 0.46
GPR35 Q9HC97 1/20 0.46

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
SCHEMBL5753664 0.92 RAB9A (0.54) RAB9ANPC1CASP3SENP7PLAU
SCHEMBL5757708 0.87 JAK2 (0.49) RAB9ANPC1PLAUTP53SMN1; SMN2
SCHEMBL6480396 0.86 MEN1 (0.46) RAB9ANPC1KMT2AMEN1TP53
SCHEMBL5759216 0.82 ITK (0.51) PLAUITK
SCHEMBL6480600 0.81 CHEK1 (0.43) RAB9ANPC1KMT2AMEN1ALOX15
SCHEMBL5755558 0.80 HDAC6 (0.48) ALOX15ITK
SCHEMBL14182888 0.80 RAB9A (0.61) RAB9ANPC1CASP3SENP7PLAU
SCHEMBL14182884 0.80 RAB9A (0.61) RAB9ANPC1CASP3SENP7PLAU
SCHEMBL5755542 0.79 RIPK1 (0.44) RAB9ANPC1KMT2AMEN1ITK
SCHEMBL14182890 0.79 PLAU (0.59) RAB9ANPC1CASP3SENP7PLAU

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 RAB9A 1147/4885NPC1 3439/4885CASP3 2351/4885

“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.