SCHEMBL6800277

SCHEMBL6800277

NC(=O)c1[nH]nc2c1CCc1[nH]nc(SCc3ccccc3)c1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.46
CDK2 P24941 3/20 0.46
CCNA1 P78396 3/20 0.46
AURKA O14965 2/20 0.41
PLK1 P53350 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 3/20 0.35
CYP2C9 P11712 2/20 0.35
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
PPARG P37231 1/20 0.34
POLB P06746 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
DAO P14920 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6791255 0.91 LMNA (0.42) CCNA2CDK2CCNA1AURKALMNA
SCHEMBL6788219 0.85 AURKA (0.52) AURKALMNAALDH1A1POLBMEN1
SCHEMBL6786859 0.78 CCNA2 (0.51) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL6787314 0.69 KDM4E (0.41) CCNA2CDK2CCNA1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL6792133 0.69 ADORA2A (0.36) CCNA2CDK2CCNA1AURKALMNA
SCHEMBL6787179 0.68 LMNA (0.38) LMNAALDH1A1KDM4EDAOSMN1; SMN2
SCHEMBL6788636 0.63 CCNA2 (1.00) CCNA2CDK2CCNA1AURKAPLK1
Hydrochloric Acid SCHEMBL6787558 0.63 CCNA2 (0.42) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL6790788 0.63 CCNA2 (0.54) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL6788948 0.63 CCNA2 (0.42) CCNA2CDK2CCNA1AURKAPLK1

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 CCNA2 270/4885CDK2 29/4885CCNA1 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.