SCHEMBL3306587

SCHEMBL3306587

CCCc1cc(CNC(=O)CN2CCN(c3ccccc3)CC2)nn1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.51
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ATM Q13315 1/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 3/20 0.47
EGFR P00533 2/20 0.47
REV1 Q9UBZ9 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
CACNA1G O43497 2/20 0.46
CACNA1H O95180 2/20 0.46
KCNH2 Q12809 2/20 0.46
MDM2 Q00987 1/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL3300670 0.89 KMT2A (0.52) GFERMEN1KMT2AALDH1A1REV1
SCHEMBL3295771 0.88 HTR7 (0.48) GFERMEN1KMT2AATMPOLB
SCHEMBL3300192 0.88 DRD4 (0.49) GFERALDH1A1KDM4EMAPTCACNA1G
SCHEMBL3300454 0.88 CACNA1G (0.60) GFERCA1CA2CA7CA9
SCHEMBL3307008 0.87 MEN1 (0.58) CA1CA2CA7CA9MEN1
SCHEMBL3298108 0.86 MEN1 (0.54) GFERCA1CA2CA7CA9
SCHEMBL3299904 0.83 ALOX5 (0.51) CA1CA2CA7CA9POLB
SCHEMBL3298259 0.82 CA1 (0.54) CA1CA2CA7CA9KMT2A
SCHEMBL3301798 0.82 POLB (0.57) GFERMEN1KMT2APOLBMAPT
SCHEMBL3299906 0.82 MALT1 (0.53) GFERCA1CA2CA7CA9

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 GFER 3476/4885CA1 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.