SCHEMBL16962733

SCHEMBL16962733

COC(=O)c1cc(C#N)cc(N)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.49
▸ ALDH1A1 P00352 8/20 0.49
▸ HPGD P15428 4/20 0.49
▸ GAA P10253 7/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CISD2 Q8N5K1 1/20 0.43
▸ GLA P06280 2/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ CFTR P13569 2/20 0.42
▸ ABL1 P00519 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ GPR35 Q9HC97 1/20 0.38

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
SCHEMBL3641841 0.84 KDM4E (0.46) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL11520049 0.82 KDM4E (0.43) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL935889 0.82 GAA (0.50) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL30373084 0.81 ALDH1A1 (0.42) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL16961526 0.81 TTR (0.47) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL14645844 0.81 ALDH1A1 (0.49) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL30373127 0.81 ALDH1A1 (0.46) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL30373102 0.81 KDM4E (0.42) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL26088854 0.81 KDM4E (0.42) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL26088496 0.81 ALDH1A1 (0.46) KDM4EALDH1A1HPGDGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108697710-B Novel substituted cyanoindoline derivatives as NIK inhibitors 杨森制药有限公司 2022-02-18 — — CN disclosed
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-11-23 — — US disclosed
US-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-03-25 — — US disclosed
EP-3405196-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS Janssen Pharmaceutica NV (BE) 2018-11-28 — — EP disclosed
WO-2017125530-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-07-27 — — WO disclosed
US-20170152239-A1 BENZAMIDE AND HETEROBENZAMIDE COMPOUNDS PFIZER INC. (US) 2017-06-01 — — US disclosed
US-20170152239-A1 BENZAMIDE AND HETEROBENZAMIDE COMPOUNDS PFIZER INC. (US) 2017-06-01 — — US disclosed
US-20170152239-A1 BENZAMIDE AND HETEROBENZAMIDE COMPOUNDS PFIZER INC. (US) 2017-06-01 — — US disclosed
US-20150239842-A1 BENZAMIDE AND HETEROBENZAMIDE COMPOUNDS PFIZER INC. (US) 2015-08-27 — — US disclosed
US-20150239842-A1 BENZAMIDE AND HETEROBENZAMIDE COMPOUNDS PFIZER INC. (US) 2015-08-27 — — US disclosed
US-20150239842-A1 BENZAMIDE AND HETEROBENZAMIDE COMPOUNDS PFIZER INC. (US) 2015-08-27 — — US disclosed
EP-2900653-A1 BENZAMIDE AND HETEROBENZAMIDE COMPOUNDS Pfizer Inc. (US) 2015-08-05 — — 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 (4 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-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB KDM4E 1897/4885ALDH1A1 4296/4885HPGD 1127/4885
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors NFKBIA, MAP3K14, IKBKG KDM4E 1951/4885ALDH1A1 4076/4885HPGD 881/4885
US-20150239842-A1 BENZAMIDE AND HETEROBENZAMIDE COMPOUNDS HRH2, H1-0, H1-2 KDM4E 1331/4885ALDH1A1 1457/4885HPGD 2270/4885
US-20170152239-A1 BENZAMIDE AND HETEROBENZAMIDE COMPOUNDS HRH2, HRH4, H1-0 KDM4E 1062/4885ALDH1A1 1921/4885HPGD 2234/4885

“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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