SCHEMBL2545006

SCHEMBL2545006

CCc1nn(-c2ccccc2)c(N)c1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
SRC P12931 1/20 0.56
BRAF P15056 1/20 0.56
KDR P35968 1/20 0.56
HPGD P15428 4/20 0.51
LMNA P02545 1/20 0.48
RIPK2 O43353 4/20 0.47
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PLK4 O00444 1/20 0.44
ROCK2 O75116 1/20 0.44
RPS6KA5 O75582 1/20 0.44
MAP4K4 O95819 1/20 0.44
INSR P06213 1/20 0.44
ROS1 P08922 1/20 0.44
PIM1 P11309 1/20 0.44
PHKG2 P15735 1/20 0.44
PRKACA P17612 1/20 0.44
RPS6KB1 P23443 1/20 0.44

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
SCHEMBL4524302 0.90 GAA (0.57) GAASRCBRAFKDRHPGD
SCHEMBL11884607 0.85 RIPK2 (0.50) GAASRCBRAFKDRHPGD
SCHEMBL11882339 0.84 RIPK2 (0.49) GAASRCBRAFKDRRIPK2
SCHEMBL4506277 0.83 LMNA (0.65) GAAHPGDLMNAALDH1A1MAPK1
SCHEMBL17596368 0.81 ALDH1A1 (0.45) GAASRCBRAFKDRHPGD
SCHEMBL2546507 0.80 HPGD (0.71) SRCBRAFKDRHPGDLMNA
SCHEMBL11544508 0.80 SRC (0.62) GAASRCBRAFKDRHPGD
SCHEMBL7101284 0.78 GAA (0.65) GAAHPGDLMNAALDH1A1MAPK1
SCHEMBL4521443 0.77 PDE4A (0.46) GAAHPGDLMNAALDH1A1MEN1
SCHEMBL31194618 0.77 MAPK1 (0.57) GAAHPGDLMNAALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4719385-A2 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINES AS ANTI-INFECTIOUS AGENTS University of Vermont and State Agricultural College (US) 2026-04-08 EP disclosed
WO-2024249380-A2 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINES AS ANTI-INFECTIOUS AGENTS UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2024-12-05 WO disclosed
US-9771375-B2 Indazole compounds useful as ketohexokinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2017-09-26 US disclosed
CN-102939283-B Indazole compounds useful as ketohexokinase inhibitors JANSSEN PHARMACEUTICA NV 2015-06-03 CN disclosed
EP-2560962-B1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-05-20 EP disclosed
US-20140336170-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2014-11-13 US disclosed
US-8822447-B2 Indazole compounds useful as ketohexokinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-09-02 US disclosed
EP-2560962-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS Janssen Pharmaceutica NV (BE) 2013-02-27 EP disclosed
CN-102939283-A Indazole compounds useful as ketohexokinase inhibitors JANSSEN PHARMACEUTICA NV 2013-02-20 CN disclosed
US-20110263559-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2011-10-27 US disclosed
WO-2011133750-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-10-27 WO disclosed
US-3864359-A 5-AMINO-3-ETHYL-1-PHENYL-4-PYRAZOLECARBOXAMIDES AND METHOD OF PREPARATION THEREOF AMERICAN CYANAMID CO 1975-02-04 US disclosed
US-3760082-A COMPOSITIONS CONTAINING 5-AMINO-3-ETHYL-1-PHENYL-4-PYRAZOLECARBOXAMIDES AND METHODS OF USING THE SAME AMERICAN CYANAMID CO 1973-09-18 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 (2 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-20140336170-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS KHK, GCK, GCKR GAA 366/4885SRC 2692/4885BRAF 3070/4885
US-20110263559-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS KHK, GCK, GCKR GAA 366/4885SRC 2692/4885BRAF 3070/4885

“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.