SCHEMBL16866558

SCHEMBL16866558

Cc1ccc(-n2nc(C3(C)COC3)cc2NC(=O)Oc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 7/20 0.57
KCNJ5 P48544 7/20 0.57
KCNJ3 P48549 7/20 0.57
MAPK14 Q16539 10/20 0.55
MAPK13 O15264 4/20 0.51
MAPK12 P53778 4/20 0.51
MAPK11 Q15759 3/20 0.51
HCK P08631 1/20 0.42
SRC P12931 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRM5 P41594 1/20 0.41

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
SCHEMBL16866561 0.89 KCNJ6 (0.56) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL16859839 0.84 MAPK14 (0.73) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL16866578 0.82 MAPK14 (0.57) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL1012856 0.82 KCNJ6 (0.58) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL16866575 0.81 MAPK14 (0.41) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL18593709 0.80 MAPK14 (0.49) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL16859864 0.80 MAPK14 (0.62) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL16859866 0.79 KCNJ6 (0.69) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL15490413 0.78 KCNJ6 (0.65) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL378957 0.78 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219489-A2 MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS, METHODS OF MAKING, AND METHODS OF USE THEREOF Washington University (US) 2023-08-02 EP disclosed
US-20230192728-A1 MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS, METHODS OF MAKING, AND METHODS OF USE THEREOF WASHINGTON UNIVERSITY (US) 2023-06-22 US disclosed
US-20210214378-A1 MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS, METHODS OF MAKING, AND METHODS OF USE THEREOF WASHINGTON UNIVERSITY (US) 2021-07-15 US disclosed
EP-2875014-B1 ANTI-MUCUS DRUGS AND USES THEREFOR UNIV WASHINGTON (US) 2017-11-29 EP disclosed
US-9187470-B2 Anti-mucus drugs and uses therefor WASHINGTON UNIVERSITY (US) 2015-11-17 US disclosed
US-9187470-B2 Anti-mucus drugs and uses therefor WASHINGTON UNIVERSITY (US) 2015-11-17 US disclosed
US-20150183777-A1 ANTI-MUCUS DRUGS AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-02 US disclosed
US-20150183777-A1 ANTI-MUCUS DRUGS AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-02 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 (3 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-20230192728-A1 MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS, METHODS OF MAKING, AND METHODS OF USE THEREOF MAPK13, MAPK12, MAP3K13 KCNJ6 3094/4885KCNJ5 3479/4885KCNJ3 2968/4885
US-20150183777-A1 ANTI-MUCUS DRUGS AND USES THEREFOR MAPK13, MAPK11, MUC1 KCNJ6 2735/4885KCNJ5 2821/4885KCNJ3 2794/4885
US-20210214378-A1 MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS, METHODS OF MAKING, AND METHODS OF USE THEREOF MAPK13, MAPK12, MAP3K13 KCNJ6 3094/4885KCNJ5 3479/4885KCNJ3 2968/4885

“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.