SCHEMBL7015982

SCHEMBL7015982

Nc1cccc(C2=NCCCN2)c1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 11/20 0.64
▸ GAA P10253 1/20 0.64
▸ TSHR P16473 1/20 0.64
▸ MAOB P27338 1/20 0.50
▸ TOP2A P11388 2/20 0.49
▸ TOP2B Q02880 2/20 0.49
▸ ACHE P22303 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
SCHEMBL29446967 0.90 NISCH (0.67) NISCHMAOBACHE
SCHEMBL4094123 0.90 NISCH (0.67) NISCHMAOBACHE
Hydrochloric Acid SCHEMBL29755905 0.88 NISCH (0.65) NISCHMAOBACHE
Hydrochloric Acid SCHEMBL27888413 0.88 NISCH (0.65) NISCHMAOBACHE
SCHEMBL14029044 0.88 NISCH (0.75) NISCHGAATSHRMAOBTOP2A
Hydrochloric Acid SCHEMBL1143198 0.87 NISCH (0.63) NISCHMAOBACHE
SCHEMBL8195024 0.82 NISCH (0.67) NISCHMAOBTOP2ATOP2B
SCHEMBL14981459 0.80 NISCH (0.81) NISCHGAATSHRMAOBTOP2A
SCHEMBL21672908 0.80 NISCH (0.60) NISCHGAATSHRMAOBTOP2A
SCHEMBL4035056 0.79 NISCH (0.68) NISCHGAATSHRTOP2ATOP2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030100769-A1 Cyclic amidine compounds DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-05-29 — — US claimed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 — — US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 — — US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 — — US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 — — US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 — — US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 — — US disclosed
US-20030100769-A1 Cyclic amidine compounds DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-05-29 — — US disclosed
EP-1280793-A2 CYCLIC AMIDINE COMPOUNDS AND THEIR USE AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS SUNTORY LIMITED (JP) 2003-02-05 — — EP disclosed
WO-2001081334-A2 CYCLIC AMIDINE COMPOUNDS AND THEIR USE AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS SUNTORY LIMITED (JP) 2001-11-01 — — WO 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 (6 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK NISCH 4556/4885GAA 742/4885TSHR 1137/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK NISCH 4553/4885GAA 940/4885TSHR 1435/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK NISCH 4556/4885GAA 742/4885TSHR 1137/4885
US-20030100769-A1 Cyclic amidine compounds CHRM1, CHRM5, CCKAR NISCH 1691/4885GAA 4427/4885TSHR 31/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK NISCH 4572/4885GAA 698/4885TSHR 1024/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK NISCH 4572/4885GAA 698/4885TSHR 1024/4885

“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.

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