SCHEMBL13034749

SCHEMBL13034749

CC(C)(C)OC(=O)N1CCC(c2ccnc3cc(N4CCNC4=O)ccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK7 Q13164 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ CNR1 P21554 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ IDO1 P14902 1/20 0.41
▸ GPR119 Q8TDV5 7/20 0.40
▸ DDB1 Q16531 1/20 0.40
▸ CRBN Q96SW2 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL13034747 0.86 MAPK7 (0.43) MAPK7KDM4EMAPTTHRBCNR1
SCHEMBL3562988 0.86 MAPK7 (0.44) MAPK7KDM4EMAPTTHRBCNR1
SCHEMBL27091618 0.79 NAMPT (0.52) KDM4EMAPTTHRBGPR119DDB1
SCHEMBL19297248 0.79 GPR119 (0.53) MAPK7KDM4EMAPTTHRBJAK2
SCHEMBL29923819 0.77 IDO1 (0.58) IDO1GPR119
SCHEMBL21034703 0.77 IDO1 (0.58) IDO1GPR119
SCHEMBL12049880 0.77 IDO1 (0.49) MAPK7KDM4EMAPTIDO1NPSR1
SCHEMBL14601846 0.76 IDO1 (0.47) JAK2JAK3IDO1
SCHEMBL21138143 0.75 IDO1 (0.59) JAK2JAK3IDO1GPR119
SCHEMBL21138406 0.75 MAPK7 (0.46) MAPK7KDM4EMAPTTHRBCNR1

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-7825244-B2 Intermediates useful in the synthesis of alkylquinoline and alkylquinazoline kinase modulators, and related methods of synthesis JANSSEN PHARMACEUTICA NV (BE) 2010-11-02 — — US disclosed
US-20070021436-A1 INTERMEDIATES USEFUL IN THE SYNTHESIS OF ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS, AND RELATED METHODS OF SYNTHESIS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-25 — — 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-20070021436-A1 INTERMEDIATES USEFUL IN THE SYNTHESIS OF ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS, AND RELATED METHODS OF SYNTHESIS FLT3, ABL1, KIT MAPK7 169/4885KDM4E 907/4885MAPT 2945/4885

“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.

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