SCHEMBL5753564

SCHEMBL5753564

O=C(NCc1ccc(F)cc1)c1ccc2[nH]c(-c3cc[nH]n3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
ITK Q08881 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL5756620 0.92 ITK (0.53) MAPTTP53SMN1; SMN2HDAC3HDAC1
SCHEMBL5755623 0.89 ITK (0.55) HDAC1ITK
SCHEMBL6478078 0.88 NAMPT (0.48) SMN1; SMN2ITKCYP3A4MAPK14LMNA
SCHEMBL5753657 0.87 ROCK2 (0.48) MAPTHDAC3HDAC1HDAC2ITK
SCHEMBL5755542 0.82 RIPK1 (0.44) HDAC6ITKMEN1ALDH1A1KMT2A
SCHEMBL5756912 0.81 ITK (0.66) HDAC1ITKMEN1KMT2A
SCHEMBL5756790 0.81 RIPK1 (0.46) MAPTSMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL5758728 0.80 ITK (0.54) SMN1; SMN2ITKCYP3A4MAPK14LMNA
SCHEMBL5755525 0.80 KDM4E (0.49) MAPTHDAC3HDAC1HDAC2L3MBTL1
SCHEMBL6486561 0.80 ITK (0.41) MAPTTP53SMN1; SMN2HDAC6ITK

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 MAPT 1668/4885TP53 317/4885SMN1; SMN2 4414/4885

“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.