SCHEMBL5229094

SCHEMBL5229094

NC(=O)c1nn(CCO)c2c1ccc1[nH]ncc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 10/20 0.46
CDK2 P24941 10/20 0.46
CCNA1 P78396 10/20 0.46
NOS1 P29475 1/20 0.34
GRK2 P25098 1/20 0.33
MAP2K1 Q02750 2/20 0.33
WEE1 P30291 2/20 0.33
PKMYT1 Q99640 2/20 0.33
TEC P42680 2/20 0.32
BMX P51813 2/20 0.32
BTK Q06187 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CG P48736 1/20 0.32
LCK P06239 1/20 0.32
LYN P07948 1/20 0.32
HCK P08631 1/20 0.32
FGR P09769 1/20 0.32
SRC P12931 1/20 0.32
FRK P42685 1/20 0.32
BLK P51451 1/20 0.32

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
SCHEMBL5228059 0.91 CCNA2 (0.45) CCNA2CDK2CCNA1NOS1GRK2
Hydrochloric Acid SCHEMBL5228989 0.90 CCNA2 (0.44) CCNA2CDK2CCNA1NOS1GRK2
SCHEMBL5227129 0.83 CCNA2 (0.48) CCNA2CDK2CCNA1
SCHEMBL5230170 0.83 CDK2 (0.42) CCNA2CDK2CCNA1PIK3CDPIK3CG
SCHEMBL5224979 0.82 CCNA2 (0.48) CCNA2CDK2CCNA1NOS1GRK2
SCHEMBL5227572 0.78 CDK2 (0.39) CCNA2CDK2CCNA1NOS1GRK2
SCHEMBL5232406 0.78 CCNA2 (0.50) CCNA2CDK2CCNA1NOS1GRK2
SCHEMBL5229177 0.76 CCNA2 (0.50) CCNA2CDK2CCNA1WEE1PKMYT1
SCHEMBL5264912 0.76 CCNA2 (0.45) CCNA2CDK2CCNA1NOS1WEE1
SCHEMBL5227808 0.74 CCNA2 (0.43) CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478357-B1 TRICYCLIC PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-01-31 EP claimed
US-20050176796-A1 Tricyclic pyrazole derivatives, process for their preparation and their use as antitumor agents PHARMACIA ITALIA S.P.A. (IT) 2005-08-11 US claimed
EP-1478357-B1 TRICYCLIC PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-01-31 EP disclosed
US-20050176796-A1 Tricyclic pyrazole derivatives, process for their preparation and their use as antitumor agents PHARMACIA ITALIA S.P.A. (IT) 2005-08-11 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-20050176796-A1 Tricyclic pyrazole derivatives, process for their preparation and their use as antitumor agents TP53, NFATC1, MAP3K15 CCNA2 1338/4885CDK2 178/4885CCNA1 1187/4885

“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.