SCHEMBL980307

SCHEMBL980307

O=C(Cc1ccc2nsnc2c1)N1CCC(c2ccc3oc4ccccc4c3c2)=N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.39
CHEK2 O96017 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
MAOB P27338 1/20 0.34
HCRTR1 O43613 1/20 0.33
EDNRA P25101 1/20 0.33
MMP8 P22894 4/20 0.32
MMP3 P08254 2/20 0.32
OPRK1 P41145 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL984420 0.83 HCRTR1 (0.45) SMN1; SMN2ALDH1A1HPGDRAB9AHCRTR1
SCHEMBL980719 0.80 ALDH1A1 (0.42) EDNRBSMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL981273 0.80 PGR (0.42) SMN1; SMN2ALDH1A1HPGDRAB9AMAOB
SCHEMBL979417 0.80 MAOB (0.43) EDNRBSMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL980254 0.80 PGR (0.46) SMN1; SMN2ALDH1A1HPGDRAB9AHCRTR1
SCHEMBL980164 0.79 JAK2 (0.41) CHEK2SMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL979329 0.78 ALDH1A1 (0.37) EDNRBSMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL979929 0.77 ECE2 (0.36) SMN1; SMN2ALDH1A1HPGDRAB9AMAOB
SCHEMBL981838 0.75 MAOB (0.47) EDNRBSMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL981037 0.75 ECE2 (0.34) SMN1; SMN2ALDH1A1HPGDRAB9AOPRK1

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 10 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
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 EDNRB 1877/4885CHEK2 577/4885SMN1; 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.