SCHEMBL982599

SCHEMBL982599

O=C(Cc1ccc(F)cc1)N1CCC(c2ccc(Cl)s2)=N1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
PANK3 Q9H999 1/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
USP2 O75604 1/20 0.38
ME2 P23368 1/20 0.37
ME1 P48163 1/20 0.37
ME3 Q16798 1/20 0.37
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
HSD11B1 P28845 1/20 0.36
KCNK3 O14649 1/20 0.35
MAOB P27338 1/20 0.35
LMNA P02545 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
SCHEMBL981256 0.89 ALDH1A1 (0.48) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL979042 0.85 ALDH1A1 (0.55) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL981878 0.84 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL981423 0.84 ALDH1A1 (0.43) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL980088 0.84 ALDH1A1 (0.45) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL979274 0.83 KMT2A (0.45) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL17004382 0.81 ECE2 (0.50) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL982252 0.81 ALDH1A1 (0.43) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL981944 0.81 PHGDH (0.44) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL983189 0.81 POLB (0.44) MEN1KMT2AALDH1A1MAPTPOLB

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 MEN1 221/4885KMT2A 174/4885ALDH1A1 399/4885

“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.