SCHEMBL5754444

SCHEMBL5754444

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
ITK Q08881 2/20 0.42
F2 P00734 2/20 0.40
CHEK2 O96017 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
ENPP2 Q13822 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HSP90AA1 P07900 1/20 0.39
ESR2 Q92731 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TOP1 P11387 1/20 0.38
CYCS P99999 2/20 0.38

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
SCHEMBL5759554 0.89 CASP3 (0.58) CASP3SENP8SENP7SENP6ITK
SCHEMBL5755806 0.87 MMP2 (0.47) F2CHEK2F10PLGPLAU
SCHEMBL6480600 0.85 CHEK1 (0.43) KDM4EALDH1A1HPGDHSD17B10HDAC6
SCHEMBL5759216 0.84 ITK (0.51) ITKCHEK2HDAC6PLAU
SCHEMBL5757708 0.82 JAK2 (0.49) ITKF2KDM4EALDH1A1HPGD
SCHEMBL5755558 0.82 HDAC6 (0.48) ITKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8212523 0.82 HRH3 (0.52) HRH3KDM4EALDH1A1HPGDSIRT2
SCHEMBL5755542 0.81 RIPK1 (0.44) HRH3ITKALDH1A1HDAC6
SCHEMBL5757088 0.81 RAB9A (0.48) HRH3KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6479001 0.80 NPC1 (0.47) HRH3ALDH1A1HPGDSMN1; SMN2PLAU

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 HRH3 3112/4885CASP3 2351/4885SENP8 2772/4885

“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.