SCHEMBL981952

SCHEMBL981952

O=C(Cc1ccc2[nH]cnc2c1)N1CCC(c2cc(F)ccc2F)=N1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.34
HDAC3 O15379 1/20 0.34
GRIN2B Q13224 1/20 0.34
MET P08581 1/20 0.33
ECE2 P0DPD6 1/20 0.33
KIF11 P52732 10/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
TYMS P04818 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
SCHEMBL980139 0.85 SMN1; SMN2 (0.35) PARP1GRIN2BECE2TYMS
SCHEMBL979214 0.85 GRM5 (0.38) GRIN2B
SCHEMBL981799 0.83 MET (0.48) METECE2TYMS
SCHEMBL979465 0.82 MET (0.41) GRIN2BMETECE2TYMS
SCHEMBL982528 0.81 PGR (0.41) METECE2TYMS
SCHEMBL17004375 0.79 ORAI1 (0.39) PARP1GRIN2BMETTYMS
SCHEMBL980141 0.77 NAMPT (0.38) PARP1HDAC3DRD4DRD3TMEM97
SCHEMBL4628246 0.77 ALDH1A1 (0.41) GRIN2BMETECE2TYMS
SCHEMBL981997 0.77 ALDH1A1 (0.38) METECE2TYMS
SCHEMBL17004383 0.74 MET (0.49) PARP1METKIF11

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 PARP1 1437/4885HDAC3 52/4885GRIN2B 973/4885

“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.