SCHEMBL3300644

SCHEMBL3300644

COc1ccc(-c2cc(CNC(=O)CN3CCN(c4cccc(C)c4C)CC3)nn2-c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
GFER P55789 2/20 0.51
GPR55 Q9Y2T6 1/20 0.50
HTR2A P28223 5/20 0.48
HTR2C P28335 5/20 0.48
SLC6A4 P31645 5/20 0.48
CCKAR P32238 6/20 0.47
USP2 O75604 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL3298079 0.90 CCKAR (0.51) MEN1KMT2AGFERCCKARUSP2
SCHEMBL3301751 0.88 KMT2A (0.47) MEN1KMT2AGFERHTR2AHTR2C
SCHEMBL3300566 0.84 KMT2A (0.56) MEN1KMT2AGFERHTR2AHTR2C
SCHEMBL3299906 0.83 MALT1 (0.53) MEN1KMT2AGFER
SCHEMBL3236428 0.82 HTR2A (0.49) MEN1KMT2AHTR2AHTR2CSLC6A4
SCHEMBL3300670 0.81 KMT2A (0.52) MEN1KMT2AGFERHTR2AHTR2C
SCHEMBL3299418 0.80 GFER (0.59) MEN1KMT2AGFERGPR55USP2
SCHEMBL3299917 0.80 CACNA1G (0.53) MEN1KMT2AHTR2AHTR2CSLC6A4
SCHEMBL3299377 0.78 MALT1 (0.55) GFERPOLB
SCHEMBL3306904 0.78 KMT2A (0.52) MEN1KMT2AGFERGPR55HTR2A

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 MEN1 1934/4885KMT2A 1636/4885GFER 3476/4885

“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.