SCHEMBL6488334

SCHEMBL6488334

CCC(CCNc1ccccc1)NC(=O)c1cccc2[nH]c(-c3cc[nH]n3)cc12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 1/20 0.35
ITK Q08881 3/20 0.33
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 1/20 0.33
PTK2 Q05397 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
DRD2 P14416 1/20 0.33
KDM4E B2RXH2 3/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 2/20 0.32
KMT2A Q03164 1/20 0.32
BRAF P15056 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5753543 0.83 MAPK1 (0.42) HDAC11ITKALDH1A1HTTKDM4E
SCHEMBL6489873 0.82 ITK (0.41) ITKTAS1R3TAS1R1DRD2KMT2A
SCHEMBL6489729 0.82 ITK (0.49) ITKTAS1R3TAS1R1
SCHEMBL5752672 0.80 HDAC11 (0.41) HDAC11ALDH1A1HTTKDM4EPKM
SCHEMBL5755838 0.79 BRAF (0.44) HDAC11ALDH1A1KDM4EMAPTKMT2A
SCHEMBL5756543 0.77 HDAC11 (0.39) HDAC11ITKALDH1A1HTTKDM4E
SCHEMBL5754686 0.77 KDR (0.43) HDAC11ITKKDM4EMAPT
SCHEMBL5757017 0.75 HDAC11 (0.43) HDAC11ITKALDH1A1KDM4EPKM
SCHEMBL5752805 0.75 TSHR (0.47) HDAC11ALDH1A1HTTDRD2KDM4E
SCHEMBL6478728 0.75 TACR3 (0.34) HDAC11ITKALDH1A1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HDAC11 1178/4885ITK 392/4885TAS1R3 4361/4885

“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.