SCHEMBL1721044

SCHEMBL1721044

COC(=O)N1CCC(c2nn(C)c(N)c2-c2ccc(F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC2 Q92769 4/20 0.41
PKM P14618 1/20 0.40
TRPC3 Q13507 2/20 0.40
TRPC7 Q9HCX4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC3 O15379 2/20 0.39
KCNH2 Q12809 1/20 0.39
MAPK11 Q15759 1/20 0.39
TRPC6 Q9Y210 2/20 0.38
MAPK7 Q13164 1/20 0.38
TYRO3 Q06418 1/20 0.38
FAAH O00519 1/20 0.37
JAK2 O60674 1/20 0.37

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
SCHEMBL1720599 0.89 HSD17B10 (0.52) MAPK14HDAC1HDAC2TRPC3TRPC7
SCHEMBL1720529 0.78 ALDH1A1 (0.51) KDM4ELMNAHPGDHTTHSD17B10
SCHEMBL13912194 0.78 MAPK14 (0.41) MAPK14KCNH2MAPK11
SCHEMBL13912193 0.75 MAPK14 (0.40) MAPK14TRPC3TRPC7KDM4ELMNA
SCHEMBL1720176 0.73 KDM4E (0.46) MAPK14HDAC1HDAC2TRPC3TRPC7
SCHEMBL7745919 0.73 FAAH (0.55) PKMFAAH
SCHEMBL1720231 0.69 BRD4 (0.44) HSD17B10MAPK1
SCHEMBL10395778 0.69 TP53 (0.47) PKMLMNATP53
SCHEMBL1303445 0.67 PDE10A (0.47) PKMHSD17B10
SCHEMBL10395854 0.67 RBP4 (0.48) PKMMAPK7MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1566380-B1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-01-11 EP disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-20060094743-A1 Isoquinoline compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-05-04 US disclosed
EP-1566380-A1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2005-08-24 EP 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-20060094743-A1 Isoquinoline compounds and medicinal use thereof PARP1, NQO1, PARP3 MAPK14 3080/4885HDAC1 711/4885HDAC2 920/4885

“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.