SCHEMBL112011

SCHEMBL112011

COC(=O)c1ccc(C#N)c(-c2cncc3cccnc23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
SLC40A1 Q9NP59 2/20 0.46
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ALDH1A1 P00352 2/20 0.40
EGLN1 Q9GZT9 1/20 0.40
MAPT P10636 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38
CCND1 P24385 1/20 0.38
CDK2 P24941 1/20 0.38
CCND3 P30281 1/20 0.38
CCNA1 P78396 1/20 0.38
CDK6 Q00534 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38

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
SCHEMBL110794 0.83 CYP11B1 (0.49) CYP11B1CYP11B2CDK1CDK4CCNB1
SCHEMBL2127568 0.78 CYP11B1 (0.60) CYP19A1CYP11B1CYP11B2ALDH1A1MAPT
SCHEMBL110630 0.72 CDK1 (0.35) MAPTCDK1CDK4CCNB1CCNA2
SCHEMBL111644 0.72 GPR84 (0.42) ALOX15HTTALDH1A1MAPTCDK1
SCHEMBL7577172 0.71 PGGT1B (0.55) FNTAFNTBPGGT1B
SCHEMBL8155327 0.71 PTGS2 (0.54) ALDH1A1MAPT
SCHEMBL7920242 0.70 ALOX15 (0.49) ALOX15HTTSLC40A1CYP19A1CYP11B1
SCHEMBL2126994 0.70 SMN1; SMN2 (0.47) HTTALDH1A1MAPT
SCHEMBL110896 0.70 ALDH1A1 (0.43) CYP19A1CYP11B1CYP11B2ALDH1A1SLC2A1
SCHEMBL7576216 0.69 ALDH1A1 (0.47) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424843-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2014-03-26 EP disclosed
US-8598217-B2 Imidazole derivatives and their use as modulators of cyclin dependent kinases ASTEX THERAPEUTICS LTD. (GB) 2013-12-03 US disclosed
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-04-26 US disclosed
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-04-26 US disclosed
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
WO-2010125402-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2010-11-04 WO disclosed
WO-2010125402-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2010-11-04 WO 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 ALOX15 4137/4885HTT 4130/4885SLC40A1 4270/4885

“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.