SCHEMBL6480600

SCHEMBL6480600

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.43
CDK7 P50613 1/20 0.43
CREBBP Q92793 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PSMB8 P28062 1/20 0.42
VCP P55072 1/20 0.41
KIF11 P52732 2/20 0.41
ALOX15 P16050 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ATM Q13315 1/20 0.39

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
SCHEMBL8212523 0.86 HRH3 (0.52) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL5759216 0.86 ITK (0.51) CHEK1CDK7HDAC6
SCHEMBL5754444 0.85 HRH3 (0.46) KDM4EALDH1A1HPGDHSD17B10HDAC6
SCHEMBL5755806 0.84 MMP2 (0.47) CHEK1CDK7LCK
SCHEMBL5755558 0.84 HDAC6 (0.48) KDM4EALDH1A1L3MBTL1HPGDHSD17B10
SCHEMBL5755542 0.83 RIPK1 (0.44) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL5752904 0.82 ITK (0.55) KDM4EALDH1A1KMT2AHPGDHSD17B10
SCHEMBL6486561 0.82 ITK (0.41) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL5756790 0.81 RIPK1 (0.46) KDM4EALDH1A1L3MBTL1HPGDALOX15
SCHEMBL5755038 0.81 RAB9A (0.54) MEN1KMT2AALOX15NPC1RAB9A

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 CHEK1 242/4885CDK7 180/4885CREBBP 588/4885

“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.