SCHEMBL16092104

SCHEMBL16092104

CN(C)c1cc(-c2ccncc2)c(-c2ccc3ccccc3c2)nn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 1.00
MAPK11 Q15759 12/20 1.00
CSNK1D P48730 11/20 1.00
MAPK9 P45984 4/20 0.52
MAPK10 P53779 4/20 0.52
MAPK8 P45983 2/20 0.50
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42

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
SCHEMBL30360207 1.00 MAPK14 (1.00) MAPK14MAPK11CSNK1DMAPK9MAPK10
Hydrochloric Acid SCHEMBL30365037 0.99 MAPK14 (0.97) MAPK14MAPK11CSNK1DMAPK9MAPK10
SCHEMBL1752996 0.84 MAPK14 (1.00) MAPK14MAPK11CSNK1DADORA2AADORA1
SCHEMBL1753071 0.84 MAPK14 (1.00) MAPK14MAPK11CSNK1DADORA2AADORA1
SCHEMBL16092111 0.82 MAPK14 (0.69) MAPK14MAPK11CSNK1DMAPK9MAPK10
SCHEMBL16092113 0.80 MAPK14 (1.00) MAPK14MAPK11CSNK1DADORA2AADORA1
SCHEMBL17728200 0.80 MAPK11 (0.66) MAPK14MAPK11CSNK1D
SCHEMBL6515131 0.79 MAPK14 (0.65) MAPK14MAPK11CSNK1DMAPK9MAPK10
SCHEMBL5847752 0.79 MAPK14 (0.65) MAPK14MAPK11CSNK1DMAPK9MAPK10
SCHEMBL16061090 0.79 MAPK14 (0.65) MAPK14MAPK11CSNK1DMAPK9MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11566016-B2 MAP kinase modulators and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-01-31 US disclosed
US-20220009905-A1 MAP KINASE MODULATORS AND USES THEREOF NORTHWESTERN UNIVERSITY 2022-01-13 US disclosed
US-11149020-B2 MAP kinase modulators and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-10-19 US disclosed
EP-3842424-A1 MAP KINASE MODULATORS AND USES THEREOF IN THE TRETAMENT OF TAUOPATHIES The Trustees of Columbia University in the City of New York (US) 2021-06-30 EP disclosed
EP-3521284-B1 PYRAZINE COMPOUNDS AS MAP KINASE MODULATORS AND USES THEREOF UNIV COLUMBIA (US) 2020-12-02 EP disclosed
US-10428047-B2 MAP kinase modulators and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-10-01 US disclosed
EP-3521284-A1 PYRAZINE COMPOUNDS AS MAP KINASE MODULATORS AND USES THEREOF The Trustees of Columbia University in the City of New York (US) 2019-08-07 EP disclosed
US-20170369472-A1 MAP KINASE MODULATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-12-28 US disclosed
US-9783525-B2 Map kinase modulators and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-10-10 US disclosed
US-9783525-B2 Map kinase modulators and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-10-10 US disclosed
US-20160151366-A1 Compositions and Methods for Treating Autism Spectrum Disorders NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2016-06-02 US disclosed
US-20160151366-A1 Compositions and Methods for Treating Autism Spectrum Disorders NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2016-06-02 US disclosed
US-20160130253-A1 MAP KINASE MODULATORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2016-05-12 US disclosed
US-20160130253-A1 MAP KINASE MODULATORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2016-05-12 US disclosed
WO-2014145485-A2 MAP KINASE MODULATORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-09-18 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 (7 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-10428047-B2 MAP kinase modulators and uses thereof MAPK1, MAP3K1, MAP3K2 MAPK14 40/4885MAPK11 47/4885CSNK1D 617/4885
US-20160130253-A1 MAP KINASE MODULATORS AND USES THEREOF MAPK1, MAP3K1, MAP3K2 MAPK14 40/4885MAPK11 47/4885CSNK1D 617/4885
US-20170369472-A1 MAP KINASE MODULATORS AND USES THEREOF MAPK1, MAP3K1, MAP3K2 MAPK14 40/4885MAPK11 47/4885CSNK1D 617/4885
US-11566016-B2 MAP kinase modulators and uses thereof MAPK1, MAP3K1, MAP3K2 MAPK14 40/4885MAPK11 47/4885CSNK1D 617/4885
US-11149020-B2 MAP kinase modulators and uses thereof MAPK1, MAP3K1, MAP3K2 MAPK14 40/4885MAPK11 47/4885CSNK1D 617/4885
US-20160151366-A1 Compositions and Methods for Treating Autism Spectrum Disorders GRIN2A, GRIN2C, NTRK2 MAPK14 124/4885MAPK11 66/4885CSNK1D 271/4885
US-20220009905-A1 MAP KINASE MODULATORS AND USES THEREOF MAPK1, MAP3K1, MAP3K2 MAPK14 40/4885MAPK11 47/4885CSNK1D 617/4885

“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.