SCHEMBL12379212

SCHEMBL12379212

CC(C)c1ccncc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.50
GABRA1 P14867 3/20 0.48
GABRB2 P47870 3/20 0.48
LMNA P02545 2/20 0.43
SLC6A2 P23975 2/20 0.43
HTR2B P41595 2/20 0.43
TRPA1 O75762 1/20 0.43
CHRM1 P11229 1/20 0.43
ADRA1A P35348 1/20 0.43
ALOX5 P09917 1/20 0.42
CYP3A4 P08684 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
FAAH O00519 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
PTGS1 P23219 1/20 0.39

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
SCHEMBL28759092 0.83 RPS6KA3 (0.40) RPS6KA3LMNAALOX5CA1CA2
SCHEMBL16248166 0.82 GABRA1 (0.48) RPS6KA3GABRA1GABRB2LMNASLC6A2
SCHEMBL17403394 0.79 TSHR (0.57) RPS6KA3GABRA1GABRB2LMNACA1
SCHEMBL269127 0.78 RPS6KA3 (0.46) RPS6KA3GABRA1GABRB2LMNASLC6A2
SCHEMBL15065158 0.77 RPS6KA3 (0.36) RPS6KA3CA1CA2KDM4EMAPKAPK2
SCHEMBL15088148 0.75 RPS6KA3 (0.35) RPS6KA3CA1CA2KDM4EMAPKAPK2
SCHEMBL2737302 0.74 RPS6KA3 (0.43) RPS6KA3LMNATRPA1ALOX5CYP3A4
SCHEMBL29517596 0.74 RPS6KA3 (0.44) RPS6KA3GABRA1GABRB2LMNASLC6A2
SCHEMBL16009187 0.74 RPS6KA3 (0.44) RPS6KA3GABRA1GABRB2LMNASLC6A2
SCHEMBL19304162 0.73 RPS6KA3 (0.42) RPS6KA3GABRA1GABRB2LMNASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. 2024-01-25 US disclosed
US-11873290-B2 2024-01-16 US disclosed
EP-4248973-A2 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. (US) 2023-09-27 EP disclosed
EP-3877376-B1 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS INC (US) 2023-08-23 EP disclosed
WO-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 WO disclosed
EP-3814343-B1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS INC (US) 2023-01-11 EP disclosed
US-20210276991-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2021-09-09 US disclosed
US-11091464-B2 Pyridazinone compounds and uses thereof EDGEWISE THERAPEUTICS, INC. (US) 2021-08-17 US disclosed
US-20210188814-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-06-24 US disclosed
US-20200165222-A1 INDOLE CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-05-28 US disclosed
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2018-06-07 US disclosed
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2018-06-07 US disclosed
US-9873687-B2 N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2018-01-23 US disclosed
US-9873687-B2 N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2018-01-23 US disclosed
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-04-28 US disclosed
WO-2014184234-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2014-11-20 WO disclosed
US-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US disclosed
US-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 US disclosed
US-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 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 (9 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-20210188814-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF IL6, IL1B, IL1A RPS6KA3 692/4885GABRA1 734/4885GABRB2 1304/4885
US-11873290-B2 IL6, MUSK, IL6ST RPS6KA3 367/4885GABRA1 641/4885GABRB2 977/4885
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100B, S100A10 RPS6KA3 1694/4885GABRA1 2729/4885GABRB2 2988/4885
US-20080293666-A1 Antibacterial Agents MRPL21, ABCB7, MSR1 RPS6KA3 840/4885GABRA1 1965/4885GABRB2 1511/4885
US-20200165222-A1 INDOLE CARBOXAMIDE COMPOUNDS BTK, JAK2, BRD4 RPS6KA3 493/4885GABRA1 1598/4885GABRB2 1876/4885
US-11091464-B2 Pyridazinone compounds and uses thereof IL6, IL1B, IL1A RPS6KA3 692/4885GABRA1 734/4885GABRB2 1304/4885
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B RPS6KA3 1815/4885GABRA1 2958/4885GABRB2 3137/4885
US-20210276991-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 RPS6KA3 1706/4885GABRA1 3158/4885GABRB2 3236/4885
US-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF IL6, IL1B, IL1A RPS6KA3 692/4885GABRA1 734/4885GABRB2 1304/4885

“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.