SCHEMBL982365

SCHEMBL982365

O=C(Cc1cccs1)N1CCC(c2cccc(Cl)c2)=N1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 3/20 0.44
POLB P06746 1/20 0.44
PGR P06401 1/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.43
HSD17B10 Q99714 3/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ORAI1 Q96D31 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL982617 0.87 ALDH1A1 (0.53) KDM4ETDP1RAB9APOLBPGR
SCHEMBL980170 0.83 KMT2A (0.56) KDM4ERAB9APOLBNPC1ALDH1A1
SCHEMBL979962 0.81 ORAI1 (0.57) PGRALDH1A1LMNAPKMNPSR1
SCHEMBL980554 0.81 HPGD (0.48) KDM4ETDP1RAB9APOLBNPC1
SCHEMBL981784 0.81 ALDH1A1 (0.49) KDM4ERAB9APOLBALDH1A1LMNA
SCHEMBL982034 0.80 ALDH1A1 (0.50) KDM4ERAB9APOLBNPC1ALDH1A1
SCHEMBL981499 0.78 ALDH1A1 (0.45) KDM4ERAB9APOLBNPC1ALDH1A1
SCHEMBL982411 0.77 MAPT (0.55) KDM4ERAB9APOLBNPC1ALDH1A1
SCHEMBL979452 0.77 PGR (0.41) KDM4ERAB9APOLBPGRALDH1A1
SCHEMBL979203 0.76 SMN1; SMN2 (0.57) RAB9APOLBALDH1A1MAPTORAI1

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 KDM4E 1005/4885TDP1 3171/4885RAB9A 2347/4885

“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.