SCHEMBL981838

SCHEMBL981838

COc1ccc(C2=NN(C(=O)Cc3ccc4nsnc4c3)CC2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.36
PKM P14618 1/20 0.36
PDE4D Q08499 3/20 0.36
PDE4B Q07343 2/20 0.36
HTR1B P28222 1/20 0.36
GHSR Q92847 1/20 0.36
PGR P06401 2/20 0.36
KDM4E B2RXH2 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35

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
SCHEMBL980474 0.92 MAOB (0.58) MAOBALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL981648 0.85 MET (0.42) MAOBALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL980254 0.84 PGR (0.46) ALDH1A1SMN1; SMN2HPGDRAB9ATP53
SCHEMBL979452 0.82 PGR (0.41) ALDH1A1SMN1; SMN2HPGDRAB9AMAPT
SCHEMBL980719 0.81 ALDH1A1 (0.42) MAOBALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL981810 0.80 SMN1; SMN2 (0.43) MAOBALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL981273 0.80 PGR (0.42) MAOBALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL979417 0.80 MAOB (0.43) MAOBALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL984420 0.80 HCRTR1 (0.45) ALDH1A1SMN1; SMN2HPGDRAB9AMAPT
SCHEMBL979329 0.78 ALDH1A1 (0.37) MAOBALDH1A1SMN1; SMN2HPGDRAB9A

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
EP-1917248-B1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2015-08-19 EP claimed
US-7875644-B2 tyrosine kinase inhibitors, in particular Met kinase; antitumor agents;1-(Benzo-1,2,5-thiadiazol-5-ylmethylcarbonyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole; leukemia, carcinomas MERCK PATENT GMBH (DE) 2011-01-25 US claimed
US-20080249095-A1 1-Acyldihydropyrazole Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 US claimed
EP-1917248-B1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2015-08-19 EP disclosed
US-7875644-B2 tyrosine kinase inhibitors, in particular Met kinase; antitumor agents;1-(Benzo-1,2,5-thiadiazol-5-ylmethylcarbonyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole; leukemia, carcinomas MERCK PATENT GMBH (DE) 2011-01-25 US disclosed
US-7875644-B2 tyrosine kinase inhibitors, in particular Met kinase; antitumor agents;1-(Benzo-1,2,5-thiadiazol-5-ylmethylcarbonyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole; leukemia, carcinomas MERCK PATENT GMBH (DE) 2011-01-25 US disclosed
US-20080249095-A1 1-Acyldihydropyrazole Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 US disclosed
US-20080249095-A1 1-Acyldihydropyrazole Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 US disclosed
WO-2007019933-A1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2007-02-22 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 (1 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-20080249095-A1 1-Acyldihydropyrazole Derivatives MET, FLT3, ERBB3 MAOB 1138/4885ALDH1A1 399/4885SMN1; SMN2 4245/4885

“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.