SCHEMBL4933145

SCHEMBL4933145

CC(C)(C)OC(=O)N1CCC(CNc2cncc(-c3ccncc3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.51
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
GRIN2B Q13224 2/20 0.49
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
KDM1A O60341 1/20 0.48
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
CYP3A4 P08684 1/20 0.47
TGFBR1 P36897 3/20 0.46
USP30 Q70CQ3 1/20 0.46

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
SCHEMBL4930924 0.89 CYP2C9 (0.50) GPR119CYP2C9KDM1AUSP30
SCHEMBL12205335 0.88 KDM4E (0.55) GPR119CYP2D6CYP2C9GRIN2BKDM4E
SCHEMBL6148442 0.86 CYP2D6 (0.64) GPR119CYP2D6CYP2C9GRIN2BKDM4E
SCHEMBL4929565 0.85 ALDH1A1 (0.56) GPR119PTPN2PTPN1PTPN6USP30
SCHEMBL12247504 0.84 KDM4E (0.51) GPR119CYP2D6CYP2C9GRIN2BKDM4E
SCHEMBL4933041 0.84 GRIN2B (0.50) CYP2D6CYP2C9GRIN2BCYP3A4USP30
SCHEMBL15206132 0.83 IDO1 (0.53) GPR119CYP2D6CYP2C9GRIN2BKDM4E
SCHEMBL12205201 0.81 TGFBR1 (0.56) GPR119KDM4EPKMTGFBR1
SCHEMBL13690395 0.79 GPR119 (0.56) GPR119CYP2D6CYP2C9GRIN2BKDM4E
SCHEMBL4930989 0.78 MKNK1 (0.44)

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-20080194584-A1 Nitrogen Heteroaromatic Compounds Which Bind To The Active Site Of Protein Kinase Enzymes GALAPAGOS NV (BE) 2008-08-14 US claimed
US-20080194584-A1 Nitrogen Heteroaromatic Compounds Which Bind To The Active Site Of Protein Kinase Enzymes GALAPAGOS NV (BE) 2008-08-14 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-20080194584-A1 Nitrogen Heteroaromatic Compounds Which Bind To The Active Site Of Protein Kinase Enzymes ROCK1, TNK2, GRK1 GPR119 316/4885CYP2D6 2175/4885CYP2C9 1971/4885

“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.