SCHEMBL18367852

SCHEMBL18367852

COC(=O)c1nc2cccc(C(C)C)n2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.41
▸ F2 P00734 2/20 0.40
▸ ALDH1A1 P00352 8/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ GLA P06280 2/20 0.38
▸ KDM4E B2RXH2 6/20 0.38
▸ HPGD P15428 3/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ DAPK3 O43293 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ RET P07949 1/20 0.36
▸ MET P08581 1/20 0.36

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
SCHEMBL22888304 0.83 RIPK1 (0.40) JAK2ALDH1A1GAASMN1; SMN2JAK1
SCHEMBL18366709 0.76 ALDH1A1 (0.51) F2ALDH1A1KMT2AHSD17B10GLA
SCHEMBL19658704 0.72 EGLN2 (0.45) JAK2
SCHEMBL24370916 0.72 HAVCR2 (0.38) JAK2
SCHEMBL18366724 0.71 FYN (0.43) JAK2JAK1
SCHEMBL18366728 0.71 PDE2A (0.41) JAK2JAK1
SCHEMBL30888369 0.70 F2 (0.38) F2ALDH1A1KMT2AHSD17B10GLA
SCHEMBL24996360 0.68 NUDT1 (0.32) —
SCHEMBL544040 0.66 EGLN2 (0.43) JAK2ALDH1A1KMT2AHSD17B10KDM4E
SCHEMBL23754204 0.65 ADORA3 (0.49) ALDH1A1KMT2AGAAADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111269221-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2023-09-26 — — CN disclosed
CN-112979660-A Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2021-06-18 — — CN disclosed
US-10988459-B2 Bicyclic lactams and methods of use thereof GENENTECH, INC. (US) 2021-04-27 — — US disclosed
CN-107849023-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2021-03-23 — — CN disclosed
EP-3760625-A1 BICYCLIC LACTAMS AS RECEPTOR-INTERACTING PROTEIN-1 (RIP1) KINASE INHIBITORS FOR TREATING E.G. INFLAMMATORY DISEASES F. Hoffmann-La Roche AG (CH) 2021-01-06 — — EP disclosed
CN-111269221-A Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2020-06-12 — — CN disclosed
WO-2017004500-A9 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-11-30 — — WO disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 — — US disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 — — US disclosed
WO-2017004500-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-05 — — 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 (2 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-10988459-B2 Bicyclic lactams and methods of use thereof LSS, LPXN, CYP1B1 JAK2 3773/4885F2 337/4885ALDH1A1 1195/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 JAK2 3773/4885F2 337/4885ALDH1A1 1195/4885

“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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