Sugi Predict

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SCHEMBL3558598

SCHEMBL3558598

CC(O)Oc1ccc2c(C3CCN(C(=O)OC(C)(C)C)CC3)ncnc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK7 Q13164 16/20 0.53
▸ JAK2 O60674 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ TYK2 P29597 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 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
SCHEMBL3564488 0.90 MAPK7 (0.51) MAPK7JAK2JAK1TYK2JAK3
SCHEMBL3573827 0.89 MAPK7 (0.66) MAPK7HTTKDM4EMEN1ALDH1A1
SCHEMBL3558599 0.85 MAPK7 (0.52) MAPK7HTTKDM4EMEN1ALDH1A1
SCHEMBL3564490 0.85 MAPK7 (0.51) MAPK7KDM4EMEN1ALDH1A1HPGD
SCHEMBL3562833 0.84 MAPK7 (0.51) MAPK7JAK2JAK1TYK2JAK3
SCHEMBL30193374 0.84 CNR1 (0.53) MAPK7JAK2JAK1TYK2JAK3
SCHEMBL3558435 0.84 CNR1 (0.53) MAPK7JAK2JAK1TYK2JAK3
SCHEMBL3563870 0.84 MAPK7 (0.55) MAPK7JAK2JAK1TYK2JAK3
SCHEMBL3567910 0.83 MAPK7 (0.49) MAPK7KDM4EMEN1ALDH1A1HPGD
SCHEMBL3572538 0.83 MAPK7 (0.50) MAPK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071768-B2 Alkylquinoline and alkylquinazoline kinase modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2011-12-06 — — US disclosed
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
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-04 — — US disclosed
US-20060281772-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 — — 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 (3 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 169/4885JAK2 29/4885JAK1 103/4885
US-20060281772-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS FLT3, KIT, NTRK2 MAPK7 489/4885JAK2 47/4885JAK1 222/4885
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines FLT3, MCL1, CDC42BPG MAPK7 957/4885JAK2 164/4885JAK1 412/4885

“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.