SCHEMBL12003404

SCHEMBL12003404

Oc1cc(-c2cccc(-c3ccccc3)c2)nn1-c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
GRM5 P41594 7/20 0.46
IRAK4 Q9NWZ3 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NOX4 Q9NPH5 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
FFAR4 Q5NUL3 4/20 0.39
KMO O15229 1/20 0.38
NTRK1 P04629 1/20 0.38
PLAUR Q03405 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL12003341 1.00 ALDH1A1 (0.48) ALDH1A1GRM5IRAK4MAPTNPC1
SCHEMBL12003336 0.96 ALDH1A1 (0.50) ALDH1A1GRM5IRAK4MAPTNPC1
SCHEMBL12003457 0.91 ALDH1A1 (0.53) ALDH1A1GRM5MAPTNPC1LMNA
SCHEMBL12018161 0.91 ALDH1A1 (0.55) ALDH1A1GRM5MAPTNPC1LMNA
SCHEMBL12003471 0.91 GRM5 (0.42) ALDH1A1GRM5IRAK4MAPTNOX4
Hydrochloric Acid SCHEMBL15609960 0.90 ALDH1A1 (0.54) ALDH1A1GRM5MAPTNPC1LMNA
SCHEMBL12003602 0.89 GRM5 (0.43) ALDH1A1GRM5IRAK4LMNAFFAR4
SCHEMBL12003350 0.86 FFAR1 (0.45) ALDH1A1GRM5MAPTNPC1LMNA
SCHEMBL12003474 0.86 GRM5 (0.44) ALDH1A1GRM5MAPTLMNAKMO
SCHEMBL16864370 0.86 ALDH1A1 (0.49) ALDH1A1GRM5MAPTNPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000176-B2 Pyrazole derivatives, preparation method thereof, and composition for prevention and treatment of osteoporosis containing same EWHA University—Industry Collaboration Foundation (KR) 2015-04-07 US claimed
US-20140088152-A1 COMPOSITION FOR PREVENTING AND TREATING CARDIOVASCULAR DISEASES, CONTAINING PYRAZOLE DERIVATIVE EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2014-03-27 US claimed
US-20140066404-A1 PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND COMPOSITION FOR PREVENTION AND TREATMENT OF OSTEOPOROSIS CONTAINING SAME EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2014-03-06 US claimed
US-20120220550-A1 PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND COMPOSITION FOR PREVENTION AND TREATMENT OF OSTEOPOROSIS CONTAINING SAME EWHA UNIVERSITY- INDUSTRY COLLABORATION FOUNDATION (KR) 2012-08-30 US claimed
US-9000176-B2 Pyrazole derivatives, preparation method thereof, and composition for prevention and treatment of osteoporosis containing same EWHA University—Industry Collaboration Foundation (KR) 2015-04-07 US disclosed
US-20140088152-A1 COMPOSITION FOR PREVENTING AND TREATING CARDIOVASCULAR DISEASES, CONTAINING PYRAZOLE DERIVATIVE EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2014-03-27 US disclosed
US-20140066404-A1 PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND COMPOSITION FOR PREVENTION AND TREATMENT OF OSTEOPOROSIS CONTAINING SAME EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2014-03-06 US disclosed
US-8604210-B2 Pyrazole derivatives, preparation method thereof, and composition for prevention and treatment of osteoporosis containing same EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2013-12-10 US disclosed
US-20120220550-A1 PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND COMPOSITION FOR PREVENTION AND TREATMENT OF OSTEOPOROSIS CONTAINING SAME EWHA UNIVERSITY- INDUSTRY COLLABORATION FOUNDATION (KR) 2012-08-30 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-20120220550-A1 PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND COMPOSITION FOR PREVENTION AND TREATMENT OF OSTEOPOROSIS CONTAINING SAME PTH1R, VDR, SOST ALDH1A1 2869/4885GRM5 1884/4885IRAK4 1098/4885
US-20140066404-A1 PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND COMPOSITION FOR PREVENTION AND TREATMENT OF OSTEOPOROSIS CONTAINING SAME PTH1R, VDR, SOST ALDH1A1 2869/4885GRM5 1884/4885IRAK4 1098/4885
US-20140088152-A1 COMPOSITION FOR PREVENTING AND TREATING CARDIOVASCULAR DISEASES, CONTAINING PYRAZOLE DERIVATIVE FABP3, PPARD, SIRT3 ALDH1A1 2049/4885GRM5 2786/4885IRAK4 1506/4885

“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.