SCHEMBL5250226

SCHEMBL5250226

CC(C)(C)c1ccc(-c2cn[nH]c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.56
CLK2 P49760 1/20 0.56
CLK3 P49761 1/20 0.56
DYRK1A Q13627 1/20 0.56
HIPK1 Q86Z02 1/20 0.56
HIPK2 Q9H2X6 1/20 0.56
HIPK3 Q9H422 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
AKT2 P31751 7/20 0.55
AKT1 P31749 5/20 0.55
KIF11 P52732 3/20 0.50
ROCK2 O75116 3/20 0.50
PRKACA P17612 2/20 0.50
AKT3 Q9Y243 2/20 0.50
PRKCD Q05655 2/20 0.50
RPS6KA5 O75582 1/20 0.50
RPS6KA4 O75676 1/20 0.50
LATS1 O95835 1/20 0.50
PRKACB P22694 1/20 0.50
RPS6KB1 P23443 1/20 0.50

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
SCHEMBL25391375 0.88 AKT2 (0.59) CLK1CLK2CLK3DYRK1AHIPK1
SCHEMBL15689115 0.82 AKT2 (0.76) AKT2AKT1ROCK2PRKACAAKT3
SCHEMBL16432987 0.82 AKT2 (0.76) AKT2AKT1ROCK2PRKACAAKT3
SCHEMBL3029971 0.82 AKT2 (0.60) CLK1CLK2CLK3DYRK1AHIPK1
SCHEMBL21100782 0.82 CLK1 (0.51) CLK1CLK2CLK3DYRK1AHIPK1
SCHEMBL24630681 0.82 AKT2 (0.48) CLK1CLK2CLK3DYRK1AHIPK1
SCHEMBL8369465 0.80 NPBWR1 (0.60) AKT2AKT1KIF11ROCK2PRKACA
SCHEMBL14326106 0.80 AKT1 (0.45) CLK1CLK2CLK3DYRK1AHIPK1
SCHEMBL10064805 0.78 KIF11 (0.54) CLK1CLK2CLK3DYRK1AHIPK1
SCHEMBL28785630 0.78 AKT1 (0.68) AKT2AKT1ROCK2PRKACAAKT3

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003051906-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-06-26 WO claimed
US-12606581-B2 Organometallic compound, organic light-emitting device including the same, and diagnostic composition including the organometallic compound SAMSUNG DISPLAY CO., LTD. (KR) 2026-04-21 US disclosed
US-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
US-20230374008-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-23 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230257376-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO. LTD. (CN) 2023-08-17 US disclosed
US-20230257376-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO. LTD. (CN) 2023-08-17 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-02-02 US disclosed
US-20030125354-A1 Compounds use as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-07-03 US disclosed
WO-2003051906-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-06-26 WO disclosed
US-6492393-B1 SUCH AS 1-(5-TERT-BUTYL-2-METHOXYPHENYL)-3-(4-(2-METHOXY-PYRIDIN-4YL-OXY)-NAPHTHALEN-1-YL)-UREA; CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-12-10 US disclosed
EP-1232150-A1 UREA DERIVATIVES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-08-21 EP disclosed
US-20020082256-A1 Compounds useful as anti-inflammatory agents BETAGERI RAJASHEHAR (US) 2002-06-27 US disclosed
US-20020055507-A1 Compounds useful as anti-inflammatory agents BETAGERI RAJASHEHAR (US) 2002-05-09 US disclosed
US-6358945-B1 CYTOKINE, TUMOR NECROSIS FACTOR, AND INTERLEUKIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-19 US disclosed
EP-1165516-A2 HETEROCYCLIC UREA AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-01-02 EP disclosed
WO-2001036403-A1 UREA DERIVATIVES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-05-25 WO disclosed
WO-2000055139-A2 HETEROCYCLIC UREA AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-21 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 (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-20230257376-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF ROCK1, ROCK2, RHOT2 CLK1 1686/4885CLK2 1121/4885CLK3 3372/4885
US-20030125354-A1 Compounds use as anti-inflammatory agents EPX, MPO, RELA CLK1 4300/4885CLK2 3951/4885CLK3 3703/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CLK1 1650/4885CLK2 1260/4885CLK3 1801/4885
US-20230382909-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 CLK1 1829/4885CLK2 823/4885CLK3 1220/4885
US-20020082256-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO CLK1 4410/4885CLK2 4238/4885CLK3 3969/4885
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA CLK1 755/4885CLK2 460/4885CLK3 1761/4885
US-20230374008-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 CLK1 1829/4885CLK2 823/4885CLK3 1220/4885
US-20020055507-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO CLK1 4410/4885CLK2 4238/4885CLK3 3969/4885
US-12606581-B2 Organometallic compound, organic light-emitting device including the same, and diagnostic composition including the organometallic compound EMC1, LEF1, ORC3 CLK1 1885/4885CLK2 2887/4885CLK3 2785/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CLK1 1650/4885CLK2 1260/4885CLK3 1801/4885

“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.