SCHEMBL2143607

SCHEMBL2143607

CN1CCN(Cc2ccc3ncn(C(=O)OC(C)(C)C)c3c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.43
PIK3C2B O00750 1/20 0.43
RIOK3 O14730 1/20 0.43
DAPK3 O43293 1/20 0.43
PIP5K1C O60331 1/20 0.43
RPS6KA4 O75676 1/20 0.43
STK10 O94804 1/20 0.43
PRKD3 O94806 1/20 0.43
PDGFRB P09619 1/20 0.43
KIT P10721 1/20 0.43
PIM1 P11309 1/20 0.43
CSNK2A2 P19784 1/20 0.43
GRK4 P32298 1/20 0.43
TIE1 P35590 1/20 0.43
FLT3 P36888 1/20 0.43
PRKCI P41743 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
CDK7 P50613 1/20 0.43
IRAK1 P51617 1/20 0.43

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
SCHEMBL2130373 0.91 SIGMAR1 (0.41) PIK3CDPIK3C2BRIOK3DAPK3PIP5K1C
SCHEMBL832990 0.80 RIPK1 (0.38) ALDH1A1KDM4EGPR119
SCHEMBL30634637 0.76 RIPK1 (0.37) ALDH1A1KDM4E
SCHEMBL24820944 0.76 RIPK1 (0.37) ALDH1A1KDM4E
SCHEMBL30974281 0.75 MEN1 (0.46) ALDH1A1KDM4EMAPTGPR119
SCHEMBL27423824 0.75 MEN1 (0.46) ALDH1A1KDM4EMAPTGPR119
SCHEMBL832385 0.75 BRD4 (0.40) GPR119
SCHEMBL4816124 0.75 GABRG2 (0.47) PIK3CDPIK3CBPIK3CGALDH1A1KDM4E
SCHEMBL7479053 0.75 HTR6 (0.44) ALDH1A1KDM4E
SCHEMBL112681 0.75 HDAC6 (0.44) CHKAIDO1TDO2IDO2HDAC6

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 3 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 disclosed
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-04-26 US 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 PIK3CD 683/4885PIK3C2B 714/4885RIOK3 110/4885

“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.