SCHEMBL983189

SCHEMBL983189

CN1CCN(C(=O)c2ccc(CC(=O)N3CCC(c4ccc(Cl)s4)=N3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SLC6A7 Q99884 1/20 0.43
HPGD P15428 3/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
USP2 O75604 1/20 0.42
CHKA P35790 1/20 0.41
FABP6 P51161 1/20 0.40
MKNK1 Q9BUB5 2/20 0.38
MKNK2 Q9HBH9 2/20 0.38
HSD11B1 P28845 1/20 0.38
ALOX15 P16050 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL981944 0.88 PHGDH (0.44) HRH3KMT2AMAPTMEN1ALDH1A1
SCHEMBL981256 0.82 ALDH1A1 (0.48) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL982599 0.81 MEN1 (0.47) POLBKMT2AMAPTMEN1ALDH1A1
SCHEMBL979042 0.81 ALDH1A1 (0.55) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL981878 0.80 ALDH1A1 (0.44) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL980088 0.79 ALDH1A1 (0.45) POLBKMT2AMAPTMEN1ALDH1A1
SCHEMBL981423 0.79 ALDH1A1 (0.43) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL982252 0.77 ALDH1A1 (0.43) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL979274 0.76 KMT2A (0.45) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL17004382 0.75 ECE2 (0.50) KMT2AMAPTMEN1ALDH1A1SLC6A7

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 4 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

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 POLB 3230/4885HRH3 97/4885KMT2A 174/4885

“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.