SCHEMBL16092102

SCHEMBL16092102

O=C(Cc1ccncc1)c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.56
ALDH1A1 P00352 6/20 0.53
MAPT P10636 4/20 0.53
KDM4E B2RXH2 4/20 0.53
HPGD P15428 4/20 0.53
LMNA P02545 3/20 0.53
CYP1A2 P05177 3/20 0.53
CYP3A4 P08684 3/20 0.53
CYP2D6 P10635 3/20 0.53
CYP2C9 P11712 3/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
GMNN O75496 2/20 0.53
POLB P06746 2/20 0.53
MAPK1 P28482 2/20 0.53
BLM P54132 2/20 0.53
PMP22 Q01453 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
CMKLR1 Q99788 2/20 0.53
TDP1 Q9NUW8 2/20 0.53

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
SCHEMBL3282190 0.86 PTPN1 (0.62) PTPN1ALDH1A1MAPTKDM4EHPGD
SCHEMBL17335809 0.83 POLB (0.58) PTPN1ALDH1A1KDM4EHPGDLMNA
SCHEMBL16171213 0.82 NPC1 (0.63) PTPN1ALDH1A1MAPTKDM4EHPGD
SCHEMBL12476565 0.78 MAPK1 (0.67) HPGDCYP2C9POLBMAPK1HTT
SCHEMBL16162267 0.77 TP53 (0.67) PTPN1ALDH1A1MAPTKDM4EHPGD
SCHEMBL7064650 0.77 PTPN1 (0.51) PTPN1ALDH1A1MAPTKDM4EHPGD
SCHEMBL22745166 0.77 PTPN1 (0.48) PTPN1ALDH1A1MAPTKDM4EHPGD
SCHEMBL16092091 0.77 PTPN1 (0.48) PTPN1ALDH1A1MAPTKDM4EHPGD
SCHEMBL5258963 0.77 MAPK1 (0.60) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL1156806 0.77 JAK2 (0.53) ALDH1A1MAPTLMNACYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3842424-B1 MAP KINASE MODULATORS AND USES THEREOF IN THE TRETAMENT OF TAUOPATHIES UNIV COLUMBIA (US) 2024-12-11 EP disclosed
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-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-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
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-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
EP-2968322-B1 MAP KINASE MODULATORS AND USES THEREOF UNIV COLUMBIA (US) 2018-12-26 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-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-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-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
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 (5 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-20160130253-A1 MAP KINASE MODULATORS AND USES THEREOF MAPK1, MAP3K1, MAP3K2 PTPN1 1191/4885ALDH1A1 2033/4885MAPT 30/4885
US-20170369472-A1 MAP KINASE MODULATORS AND USES THEREOF MAPK1, MAP3K1, MAP3K2 PTPN1 1191/4885ALDH1A1 2033/4885MAPT 30/4885
US-11566016-B2 MAP kinase modulators and uses thereof MAPK1, MAP3K1, MAP3K2 PTPN1 1191/4885ALDH1A1 2033/4885MAPT 30/4885
US-11149020-B2 MAP kinase modulators and uses thereof MAPK1, MAP3K1, MAP3K2 PTPN1 1191/4885ALDH1A1 2033/4885MAPT 30/4885
US-20220009905-A1 MAP KINASE MODULATORS AND USES THEREOF MAPK1, MAP3K1, MAP3K2 PTPN1 1191/4885ALDH1A1 2033/4885MAPT 30/4885

“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.