SCHEMBL981501

SCHEMBL981501

Cc1c(N)ccc(C2=NN(C(=O)Cc3cccs3)CC2)c1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
HSD17B10 Q99714 3/20 0.42
HTT P42858 1/20 0.41
ALDH1A1 P00352 6/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 3/20 0.39
RECQL P46063 1/20 0.39
ESR2 Q92731 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
GFER P55789 1/20 0.38
PKM P14618 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL982034 0.78 ALDH1A1 (0.50) KMT2AMEN1HSD17B10HTTALDH1A1
SCHEMBL984588 0.77 SMN1; SMN2 (0.54) KMT2AMEN1HSD17B10HTTALDH1A1
SCHEMBL984737 0.77 POLB (0.47) KMT2AMEN1HSD17B10HTTALDH1A1
SCHEMBL982164 0.74 KDM4E (0.48) KMT2AMEN1HSD17B10HTTALDH1A1
SCHEMBL981784 0.74 ALDH1A1 (0.49) KMT2AMEN1HSD17B10HTTALDH1A1
SCHEMBL982617 0.74 ALDH1A1 (0.53) KMT2AMEN1HSD17B10HTTALDH1A1
SCHEMBL983114 0.74 MEN1 (0.52) KMT2AMEN1HSD17B10HTTALDH1A1
SCHEMBL981499 0.74 ALDH1A1 (0.45) KMT2AMEN1HSD17B10HTTALDH1A1
SCHEMBL980554 0.73 HPGD (0.48) KMT2AMEN1HSD17B10ALDH1A1LMNA
SCHEMBL982365 0.72 KDM4E (0.55) KMT2AMEN1HSD17B10HTTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 KMT2A 174/4885MEN1 221/4885HSD17B10 691/4885

“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.