Sugi Predict

Sugi Predict / Compounds / SCHEMBL16285249

SCHEMBL16285249

SCHEMBL16285249

CC(C)(C)c1ccc(N2CCC(O)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.52
▸ HSD11B1 P28845 7/20 0.50
▸ MAPK1 P28482 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MAPT P10636 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ USP2 O75604 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ L3MBTL3 Q96JM7 1/20 0.40

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
SCHEMBL26798770 0.89 AR (0.46) HRH3HSD11B1MAPK1L3MBTL1NPC1
SCHEMBL13158337 0.86 NOTUM (0.44) HRH3HSD11B1L3MBTL1MAPTALDH1A1
SCHEMBL12666602 0.83 HRH3 (0.50) HRH3HSD11B1MAPK1L3MBTL1NPC1
SCHEMBL15996590 0.83 USP2 (0.54) HRH3HSD11B1MAPK1L3MBTL1NPC1
SCHEMBL20178041 0.82 HSD11B1 (0.57) HRH3HSD11B1MAPK1L3MBTL1NPC1
SCHEMBL24123768 0.81 HRH3 (0.49) HRH3HSD11B1MAPK1L3MBTL1NPC1
SCHEMBL13132202 0.81 HRH3 (0.49) HRH3HSD11B1MAPK1L3MBTL1NPC1
SCHEMBL61425 0.81 NOTUM (0.58) HRH3MAPTALDH1A1CA12CA2
SCHEMBL26802563 0.81 ACACB (0.43) HRH3HSD11B1MAPK1L3MBTL1NPC1
SCHEMBL25194304 0.80 MAOB (0.58) MAPK1L3MBTL1NPC1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200361924-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2020-11-19 — — US disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 — — US disclosed
US-10273242-B2 Compound inhibiting activities of BTK and/or JAK3 kinases Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2019-04-30 — — US disclosed
US-10189861-B2 Pyrimido-diazepinone compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-01-29 — — US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 — — US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 — — US disclosed
US-20180051036-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2018-02-22 — — US disclosed
US-20180051036-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2018-02-22 — — US disclosed
US-9840517-B2 Compound inhibiting activities of BTK and/or JAK3 kinases Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2017-12-12 — — US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 — — US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 — — US disclosed
US-20160229865-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2016-08-11 — — US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 — — US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 — — US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 — — US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 — — US disclosed
US-20140364438-A1 TRIAZOLOPYRIDINE DERIVATIVES AS A TYROSINE KINASE INHIBITOR HANMI PHARM. CO., LTD. (KR) 2014-12-11 — — 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 (10 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-20180051036-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES BTK, JAK3, JAK2 HRH3 2142/4885HSD11B1 2477/4885MAPK1 289/4885
US-20160229865-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES BTK, JAK3, JAK2 HRH3 2142/4885HSD11B1 2477/4885MAPK1 289/4885
US-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK HRH3 542/4885HSD11B1 3408/4885MAPK1 309/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK HRH3 662/4885HSD11B1 4122/4885MAPK1 441/4885
US-10189861-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 HRH3 624/4885HSD11B1 3700/4885MAPK1 288/4885
US-10273242-B2 Compound inhibiting activities of BTK and/or JAK3 kinases BTK, JAK3, JAK2 HRH3 2142/4885HSD11B1 2477/4885MAPK1 289/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK HRH3 592/4885HSD11B1 3523/4885MAPK1 280/4885
US-20200361924-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES FTH1, SLC40A1, FECH HRH3 4290/4885HSD11B1 2917/4885MAPK1 4691/4885
US-20140364438-A1 TRIAZOLOPYRIDINE DERIVATIVES AS A TYROSINE KINASE INHIBITOR LCK, TYK2, LTK HRH3 1246/4885HSD11B1 4498/4885MAPK1 176/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK HRH3 592/4885HSD11B1 3523/4885MAPK1 280/4885

“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.