SCHEMBL6791828

SCHEMBL6791828

O=C(O)c1nn(CC(F)(F)F)c2c1CCc1c-2cnn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.45
CCNA2 P20248 5/20 0.45
CCNA1 P78396 5/20 0.45
AURKA O14965 3/20 0.44
PLK1 P53350 2/20 0.44
CREBBP Q92793 3/20 0.33
BRD4 O60885 2/20 0.33
CACNA1G O43497 2/20 0.32
CACNA1H O95180 2/20 0.32
CACNA1I Q9P0X4 2/20 0.32
RAB9A P51151 1/20 0.32
HTR3A P46098 2/20 0.31
HDAC9 Q9UKV0 1/20 0.31
PDPK1 O15530 1/20 0.31
PTGS2 P35354 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL6786625 0.88 CCNA2 (0.41) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL6792298 0.76 CCNA2 (0.43) CDK2CCNA2CCNA1RAB9A
SCHEMBL6790555 0.73 CCNA2 (0.40) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL6794887 0.73 CCNA2 (0.41) CDK2CCNA2CCNA1
Hydrochloric Acid SCHEMBL6794519 0.70 CCNA2 (0.80) CDK2CCNA2CCNA1
SCHEMBL6790548 0.70 CCNA2 (0.37) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL6794542 0.69 CCNA2 (0.40) CDK2CCNA2CCNA1BRD4
SCHEMBL6792545 0.64 CDK4 (0.36) CDK2CCNA2CCNA1RAB9A
SCHEMBL6791026 0.64 SMN1; SMN2 (0.42) CDK2CCNA2CCNA1POLB
SCHEMBL31429349 0.64 LMNA (0.47) CDK2CCNA2CCNA1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US claimed
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 CDK2 29/4885CCNA2 270/4885CCNA1 527/4885

“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.