SCHEMBL16202645

SCHEMBL16202645

CC(C)c1cccc(C2=NCCCN2)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 12/20 0.58
▸ GAA P10253 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ MAOB P27338 1/20 0.47
▸ TOP2A P11388 2/20 0.45
▸ TOP2B Q02880 2/20 0.45
▸ ACHE P22303 1/20 0.43

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
SCHEMBL17084449 0.91 NISCH (0.66) NISCHMAOBACHE
SCHEMBL14029044 0.84 NISCH (0.75) NISCHGAATSHRMAOBTOP2A
SCHEMBL12073506 0.81 NISCH (0.81) NISCHGAATSHRMAOBTOP2A
SCHEMBL14981459 0.80 NISCH (0.81) NISCHGAATSHRMAOBTOP2A
SCHEMBL7015982 0.76 NISCH (0.64) NISCHGAATSHRMAOBTOP2A
SCHEMBL6365864 0.75 NISCH (1.00) NISCHGAATSHRMAOBTOP2A
SCHEMBL21672908 0.73 NISCH (0.60) NISCHGAATSHRMAOBTOP2A
SCHEMBL9189709 0.73 NISCH (0.85) NISCHGAATSHRMAOBACHE
SCHEMBL13327264 0.72 NISCH (0.81) NISCHGAATSHRTOP2ATOP2B
SCHEMBL3858563 0.71 NISCH (0.55) NISCHGAATSHRMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140323418-A1 SELECTIVE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-30 — — 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-20140323418-A1 SELECTIVE KINASE INHIBITORS SYK, BTK, LCK NISCH 3618/4885GAA 1279/4885TSHR 4204/4885

“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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