SCHEMBL6480282

SCHEMBL6480282

O=C(NCc1ccc(F)cc1)c1cccc2[nH]c(-c3cc[nH]n3)cc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
CCR1 P32246 5/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PLA2G7 Q13093 1/20 0.42
MEN1 O00255 2/20 0.42
RAB9A P51151 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
MT-CO2 P00403 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL5756316 0.91 KDM4E (0.53) KMT2AMAPTKDM4EMEN1SMN1; SMN2
SCHEMBL6479297 0.89 POLB (0.46) KMT2ACCR1MAPTKDM4EMEN1
SCHEMBL6478395 0.87 MET (0.40) KMT2ACCR1LMNAL3MBTL1KDM4E
SCHEMBL5754686 0.83 KDR (0.43) CYP1A2LMNAMAPTKDM4E
SCHEMBL5757017 0.81 HDAC11 (0.43) CYP1A2CYP2C19LMNAMAPTKDM4E
SCHEMBL5756543 0.81 HDAC11 (0.39) MAPTL3MBTL1KDM4EHTTSMN1; SMN2
SCHEMBL5756593 0.81 KDM4E (0.49) LMNAMAPTKDM4ERAB9AHTT
SCHEMBL5757735 0.81 HPGD (0.52) KMT2ALMNAMAPTKDM4EMEN1
SCHEMBL5756899 0.80 KMT2A (0.41) KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL6490263 0.80 HDAC11 (0.41) KMT2AMAPTKDM4EMEN1EGLN1

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 KMT2A 1158/4885CYP1A2 1895/4885CYP2C19 1108/4885

“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.