SCHEMBL3299335

SCHEMBL3299335

O=C(CN1CCN(c2ccccc2)CC1)NCc1cc(-c2ccc(C=S)cc2)n(-c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 10/20 0.50
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
GFER P55789 1/20 0.44
POLB P06746 1/20 0.43
MGLL Q99685 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.41
MDM2 Q00987 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
SCHEMBL3295706 0.93 MALT1 (0.46) MALT1CA1CA2CA7CA9
SCHEMBL3301751 0.89 KMT2A (0.47) MALT1GFERTSHR
SCHEMBL3299906 0.89 MALT1 (0.53) MALT1CA1CA2CA7CA9
SCHEMBL3301907 0.89 HTR7 (0.44) MALT1GFERALDH1A1
SCHEMBL3299377 0.88 MALT1 (0.55) MALT1CA1CA2CA7CA9
SCHEMBL3298108 0.81 MEN1 (0.54) CA1CA2CA7CA9GFER
SCHEMBL3298529 0.80 ALDH1A1 (0.51) MALT1CA1CA2CA7CA9
SCHEMBL3306587 0.77 GFER (0.51) CA1CA2CA7CA9GFER
SCHEMBL3300644 0.76 MEN1 (0.64) GFERPOLBALDH1A1
SCHEMBL3298079 0.75 CCKAR (0.51) GFERTSHR

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 MALT1 4402/4885CA1 1902/4885CA2 165/4885

“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.