SCHEMBL5753446

SCHEMBL5753446

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
ITK Q08881 1/20 0.43
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
FGFR1 P11362 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT1 P17948 1/20 0.41
KDR P35968 1/20 0.41
RXFP1 Q9HBX9 2/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL5756790 0.93 RIPK1 (0.46) KDM4EALDH1A1MAPTSMN1; SMN2ITK
SCHEMBL5757665 0.91 ITK (0.52) KDM4EALDH1A1MAPTSMN1; SMN2DRD2
SCHEMBL5755525 0.90 KDM4E (0.49) KDM4EALDH1A1MAPTITKITGB3
SCHEMBL5753964 0.89 KDM4E (0.46) KDM4EALDH1A1MAPTITKITGB3
SCHEMBL5755542 0.89 RIPK1 (0.44) ALDH1A1ITKMEN1KMT2AHDAC6
SCHEMBL5755204 0.89 HPGD (0.53) KDM4EALDH1A1MAPTSMN1; SMN2DRD2
SCHEMBL5752904 0.88 ITK (0.55) KDM4EALDH1A1MAPTSMN1; SMN2ITK
SCHEMBL5757315 0.84 ITK (0.53) KDM4EALDH1A1ITKHPGDALOX15
SCHEMBL6478927 0.84 ITK (0.40) KDM4EALDH1A1MAPTSMN1; SMN2ITK
SCHEMBL6486561 0.83 ITK (0.41) KDM4EALDH1A1MAPTSMN1; SMN2ITK

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 KDM4E 765/4885ALDH1A1 2469/4885MAPT 1668/4885

“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.