SCHEMBL981216

SCHEMBL981216

O=C1NCc2cc(C3=NN(C(=O)CN4C=Cc5sncc5C4)CC3)ccc2N1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
CPT2 P23786 1/20 0.30
CPT1A P50416 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30

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
SCHEMBL980718 0.82 ALDH1A1 (0.39) ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL979415 0.81 MAOB (0.40) ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL984418 0.81 L3MBTL1 (0.41) ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL980163 0.79 JAK2 (0.36) ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL980473 0.79 MAOB (0.53) ALDH1A1HPGDRAB9ASMN1; SMN2PDE4A
SCHEMBL17004386 0.78 HCRTR1 (0.35) ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL979451 0.78 PGR (0.40) ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL981837 0.77 MAOB (0.44) ALDH1A1HPGDRAB9ASMN1; SMN2PDE4A
SCHEMBL982251 0.74 ALDH1A1 (0.40) ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL981036 0.73 ALDH1A1 (0.30) ALDH1A1HPGDRAB9ASMN1; SMN2

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 5 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
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

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 CYP11B1 417/4885CYP11B2 589/4885ALDH1A1 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.