SCHEMBL5848713

SCHEMBL5848713

O=C(Cc1ccncc1)c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.57
PTPN1 P18031 1/20 0.56
KDM4E B2RXH2 3/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
CYP1A1 P04798 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP1B1 Q16678 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
MAPK14 Q16539 1/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP19A1 P11511 1/20 0.47
GRM1 Q13255 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
LMNA P02545 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL1515809 0.86 PLAU (0.73) PLAUPTPN1KDM4ENPC1RAB9A
SCHEMBL1515812 0.83 PLAU (0.61) PLAUKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6282341 0.83 IDO1 (0.58) PLAUPTPN1KDM4ENPC1RAB9A
SCHEMBL9711266 0.83 PTPN1 (0.62) PLAUPTPN1KDM4ENPC1RAB9A
SCHEMBL1157353 0.79 ALDH1A1 (0.66) PLAUKDM4ECYP1A2SMN1; SMN2HPGD
SCHEMBL17736032 0.77 KDM4E (0.48) PTPN1KDM4ENPC1RAB9ACYP1A1
SCHEMBL16060791 0.77 KDM4E (0.48) PLAUPTPN1KDM4ENPC1RAB9A
SCHEMBL13799781 0.77 ALPG (0.51) KDM4ECYP19A1
SCHEMBL6203734 0.77 ALDH1A1 (0.55) KDM4ENPC1RAB9ACYP1A2HPGD
SCHEMBL16171212 0.76 PLAU (0.56) PLAUPTPN1KDM4ENPC1RAB9A

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 42 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
US-20040097555-A1 Concomitant drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-20 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
EP-1027050-B1 1,3-THIAZOLES AS ADENOSINE A3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ALLERGY, ASTHMA AND DIABETES TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-14 EP disclosed
WO-2003099808-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2003-12-04 WO disclosed
EP-1354603-A1 CONCOMITANT DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-22 EP disclosed
US-6620825-B1 1,3-Azole compound substituted by pyridyl; administering as antiasthmatic, antiinflammatory or antiallergen agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-16 US disclosed
US-6436966-B1 Adenosine A3 receptor antagonists TAKEDA CHEMICAL IND., LTD. (JP) 2002-08-20 US disclosed
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 EP disclosed
EP-1027050-A2 ADENOSINE A3 RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-08-16 EP disclosed
WO-1999021555-A2 ADENOSINE A3 RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-05-06 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 (4 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-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 PLAU 1684/4885PTPN1 102/4885KDM4E 2889/4885
US-11566016-B2 MAP kinase modulators and uses thereof MAPK1, MAP3K1, MAP3K2 PLAU 2810/4885PTPN1 1191/4885KDM4E 2045/4885
US-11149020-B2 MAP kinase modulators and uses thereof MAPK1, MAP3K1, MAP3K2 PLAU 2810/4885PTPN1 1191/4885KDM4E 2045/4885
US-20220009905-A1 MAP KINASE MODULATORS AND USES THEREOF MAPK1, MAP3K1, MAP3K2 PLAU 2810/4885PTPN1 1191/4885KDM4E 2045/4885

“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.