SCHEMBL3301751

SCHEMBL3301751

Cc1cccc(N2CCN(CC(=O)NCc3cc(-c4ccc(C=S)cc4)n(-c4ccccc4)n3)CC2)c1C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 3/20 0.44
MALT1 Q9UDY8 3/20 0.44
NPC1 O15118 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HTR7 P34969 4/20 0.43
SLC6A4 P31645 6/20 0.43
HTR2A P28223 8/20 0.43
HTR2C P28335 8/20 0.43
HTR1A P08908 3/20 0.42
DRD2 P14416 3/20 0.42
REV1 Q9UBZ9 1/20 0.42
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL3301907 0.90 HTR7 (0.44) LMNAMALT1HTR7MAPTGFER
SCHEMBL3299335 0.89 MALT1 (0.50) MALT1TSHRGFER
SCHEMBL3300644 0.88 MEN1 (0.64) KMT2AMEN1SLC6A4HTR2AHTR2C
SCHEMBL3295706 0.86 MALT1 (0.46) MALT1DRD2GAAGFER
SCHEMBL3300566 0.86 KMT2A (0.56) KMT2AMEN1LMNANPC1ALOX15
SCHEMBL3299906 0.82 MALT1 (0.53) KMT2AMEN1MALT1GFER
SCHEMBL3300670 0.81 KMT2A (0.52) KMT2AMEN1LMNANPC1ALOX15
SCHEMBL3299917 0.79 CACNA1G (0.53) KMT2AMEN1LMNANPC1ALOX15
SCHEMBL3306904 0.79 KMT2A (0.52) KMT2AMEN1LMNANPC1ALOX15
SCHEMBL3298079 0.78 CCKAR (0.51) KMT2AMEN1TSHRHTR7GFER

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
US-8299072-B2 Pyrazolylmethylamine compounds as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-10-30 US claimed
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-04-15 US claimed
US-8299072-B2 Pyrazolylmethylamine compounds as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-10-30 US disclosed
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-04-15 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-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1I, CACNA1C, ORAI1 KMT2A 1636/4885MEN1 1934/4885LMNA 1651/4885

“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.