SCHEMBL3553100

SCHEMBL3553100

COc1cccn2c(-c3nc(SC)ncc3C#N)cnc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
BRD4 O60885 1/20 0.39
IGF1R P08069 3/20 0.38
CDK2 P24941 1/20 0.37
EGFR P00533 2/20 0.33
PTK2 Q05397 1/20 0.33
KDR P35968 3/20 0.32
CDK1 P06493 2/20 0.32
ERBB2 P04626 1/20 0.32
MAP2K1 Q02750 1/20 0.32
DYRK3 O43781 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK2 Q92630 1/20 0.32
HPGDS O60760 1/20 0.32
TP53 P04637 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
PKM P14618 1/20 0.31

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
SCHEMBL3558659 0.89 CYP1A2 (0.35) KDM4EBRD4IGF1RCDK2
SCHEMBL3549977 0.88 PDE10A (0.33) KDM4EBRD4IGF1RCDK2
SCHEMBL2200361 0.85 KDM4E (0.42) KDM4E
SCHEMBL3558571 0.85 IGF1R (0.33) KDM4EBRD4IGF1RCDK2
SCHEMBL3554797 0.85 ABL1 (0.33) KDM4EBRD4IGF1RCDK2KDR
SCHEMBL3552402 0.84 GABRA1 (0.38) KDM4EIGF1R
SCHEMBL2200414 0.84 BRD4 (0.38) KDM4EBRD4IGF1R
SCHEMBL2198656 0.83 BRD4 (0.35) KDM4EBRD4IGF1RCDK2
SCHEMBL3546879 0.82 IGF1R (0.34) KDM4EBRD4IGF1RCDK2
SCHEMBL2198235 0.82 KDM4E (0.32) KDM4EIGF1RCDK2

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-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A KDM4E 489/4885BRD4 38/4885IGF1R 101/4885

“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.