SCHEMBL14030258

SCHEMBL14030258

CC(C)(C)c1nnc2n1CCC2

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
HPGD P15428 4/20 0.42
HSD11B1 P28845 6/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD11B2 P80365 4/20 0.37
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL14030286 0.94 POLB (0.55) POLBHPGDHSD11B1ALDH1A1KDM4E
SCHEMBL14030375 0.92 POLB (0.58) POLBHPGDHSD11B1ALDH1A1KDM4E
SCHEMBL14030255 0.92 POLB (0.58) POLBHPGDHSD11B1ALDH1A1KDM4E
SCHEMBL23638716 0.84 POLB (0.44) POLBHPGDHSD11B1ALDH1A1KDM4E
SCHEMBL15979338 0.81 POLB (0.42) POLBHPGDHSD11B1ALDH1A1KDM4E
SCHEMBL23638642 0.81 POLB (0.42) POLBHPGDHSD11B1ALDH1A1KDM4E
SCHEMBL23638561 0.78 POLB (0.40) POLBHPGDHSD11B1ALDH1A1KDM4E
SCHEMBL14030349 0.77 GRM5 (0.31) POLBALDH1A1
SCHEMBL14030383 0.77 GRM5 (0.33) POLB
SCHEMBL14030443 0.76 POLB (0.33) POLB

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-20230203019-A1 Piperazine Cyclic Ureas SIRONAX (BEIJING) CO., LTD. (CN) 2023-06-29 US disclosed
US-20230203019-A1 Piperazine Cyclic Ureas SIRONAX (BEIJING) CO., LTD. (CN) 2023-06-29 US disclosed
US-20210213006-A1 METHODS OF TREATING NEURODEGENERATIVE DISEASES Seal Rock Therapeutics, Inc. 2021-07-15 US disclosed
US-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF Seal Rock Therapeutics, Inc. 2021-03-25 US disclosed
WO-2019136025-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF Seal Rock Therapeutics, Inc. (US) 2019-07-11 WO disclosed
US-20180194761-A1 N2-PHENYL-PYRIDO[3,4- D]PYRIMIDINE-2, 8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2018-07-12 US disclosed
US-20180148440-A1 SUBSTITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2018-05-31 US disclosed
US-20180148440-A1 SUBSTITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2018-05-31 US disclosed
US-9902721-B2 N2-phenyl-pyrido[3,4-d]pyrimidine-2, 8-diamine derivatives and their use as Mps1 inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-02-27 US disclosed
US-9856240-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2018-01-02 US disclosed
US-20170037042-A1 SUBSTITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-02-09 US disclosed
US-20160362409-A1 N2-PHENYL-PYRIDO[3,4-D]PYRIMIDINE-2, 8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2016-12-15 US disclosed
US-20150087648-A1 SUBSITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2015-03-26 US disclosed
US-8912224-B2 Substituted 2-(chroman-6-yloxy)-thiazoles and their use as pharmaceuticals SANOFI (FR) 2014-12-16 US disclosed
US-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-09-11 US disclosed
US-20130065859-A1 SUBSTITUTED 2-(CHROMAN-6-YLOXY)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-03-14 US disclosed
US-20080261970-A1 Sufonamides and Uses Thereof ELIXIR PHARMACEUTICALS, INC. (US) 2008-10-23 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 (11 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-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF ATF1, MAP3K1, ROCK1 POLB 3622/4885HPGD 1428/4885HSD11B1 443/4885
US-20210213006-A1 METHODS OF TREATING NEURODEGENERATIVE DISEASES SNCA, MAPT, HTT POLB 2382/4885HPGD 3292/4885HSD11B1 1901/4885
US-20180148440-A1 SUBSTITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS RYR2, SLC8B1, P2RX1 POLB 4879/4885HPGD 3280/4885HSD11B1 2683/4885
US-20160362409-A1 N2-PHENYL-PYRIDO[3,4-D]PYRIMIDINE-2, 8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS BUB1, BUB1B, CDK1 POLB 1078/4885HPGD 4253/4885HSD11B1 4259/4885
US-20180194761-A1 N2-PHENYL-PYRIDO[3,4- D]PYRIMIDINE-2, 8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS BUB1, BUB1B, CDK1 POLB 1078/4885HPGD 4253/4885HSD11B1 4259/4885
US-20230203019-A1 Piperazine Cyclic Ureas RIPK1, RIPK3, RIPK4 POLB 2439/4885HPGD 1224/4885HSD11B1 3676/4885
US-20130065859-A1 SUBSTITUTED 2-(CHROMAN-6-YLOXY)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS RYR2, SLC8B1, RYR1 POLB 4876/4885HPGD 3181/4885HSD11B1 2728/4885
US-20080261970-A1 Sufonamides and Uses Thereof CYP21A2, LPXN, OAT POLB 2539/4885HPGD 1382/4885HSD11B1 586/4885
US-20170037042-A1 SUBSTITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS RYR2, SLC8B1, P2RX1 POLB 4879/4885HPGD 3280/4885HSD11B1 2683/4885
US-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 POLB 4774/4885HPGD 1883/4885HSD11B1 3887/4885
US-20150087648-A1 SUBSITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS RYR2, CACNA1E, SLC8B1 POLB 4869/4885HPGD 3065/4885HSD11B1 2609/4885

“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.