SCHEMBL174239

SCHEMBL174239

O=C(NN1CCCCC1)c1ccc2c(c1)NC(C(=O)O)(C(=O)c1ccnc(-c3cncc4ccccc34)c1)N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
CDK4 P11802 2/20 0.38
CCNA2 P20248 2/20 0.38
CCND1 P24385 2/20 0.38
CDK2 P24941 2/20 0.38
CCND3 P30281 2/20 0.38
CCNA1 P78396 2/20 0.38
CDK6 Q00534 2/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
FGFR3 P22607 2/20 0.37
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
CNR1 P21554 4/20 0.34
CNR2 P34972 1/20 0.34
SMYD2 Q9NRG4 2/20 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
SCHEMBL158177 0.77 CDK4 (0.61) HTTCDK4CCNA2CCND1CDK2
SCHEMBL111465 0.65 KDM4E (0.53) HTTCDK4CCNA2CCND1CDK2
SCHEMBL2143636 0.65 CDK4 (0.45) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL12501175 0.65 LMNA (0.70) HTTMAPK8MAPK10LMNAPOLB
SCHEMBL29634479 0.62 HTT (0.66) HTTLMNA
N-Piperidinobenzamide SCHEMBL696161 0.61 HTT (1.00) HTTMAPK8MAPK10LMNAPOLB
SCHEMBL9282775 0.61 HTT (1.00) HTTMAPK8MAPK10LMNAPOLB
SCHEMBL2127601 0.61 CDK4 (0.64) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL2142391 0.61 CDK4 (0.64) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL29634427 0.61 HTT (0.63) HTTLMNAPOLB

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
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-04-26 US claimed
EP-2424843-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES Novartis AG (CH) 2012-03-07 EP claimed
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-04-26 US disclosed
EP-2424843-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES Novartis AG (CH) 2012-03-07 EP 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-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES CDK3, CCNI, CDK1 HTT 4130/4885CDK4 13/4885CCNA2 24/4885

“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.