SCHEMBL16492153

SCHEMBL16492153

Clc1cnccc1-c1cc2c([nH]1)CCNC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKN2 Q16513 3/20 0.62
▸ CDC7 O00311 4/20 0.42
▸ PIM1 P11309 2/20 0.41
▸ PIM2 Q9P1W9 2/20 0.41
▸ CHRNB2 P17787 2/20 0.37
▸ CHRNA4 P43681 2/20 0.37
▸ PNMT P11086 1/20 0.36
▸ GSK3B P49841 2/20 0.35
▸ DYRK1A Q13627 2/20 0.35
▸ CDK9 P50750 2/20 0.35
▸ CDK8 P49336 2/20 0.35
▸ PLK4 O00444 1/20 0.35
▸ MAPK13 O15264 1/20 0.35
▸ DAPK3 O43293 1/20 0.35
▸ DYRK3 O43781 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ RPS6KA5 O75582 1/20 0.35
▸ RPS6KA4 O75676 1/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ CHEK2 O96017 1/20 0.35

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
Hydrochloric Acid SCHEMBL17783202 0.99 PKN2 (0.60) PKN2CDC7PIM1PIM2CHRNB2
SCHEMBL16492261 0.84 PKN2 (0.62) PKN2CDC7PIM1PIM2CHRNB2
Hydrochloric Acid SCHEMBL17783263 0.83 PKN2 (0.60) PKN2CDC7PIM1PIM2CHRNB2
SCHEMBL7899137 0.77 PKN2 (1.00) PKN2CDC7CHRNB2CHRNA4GSK3B
SCHEMBL24188018 0.70 PDCD1 (0.49) PKN2PIM1PIM2CHRNB2CHRNA4
SCHEMBL16492217 0.70 PKN2 (0.55) PKN2PIM1PIM2PIM3
Hydrochloric Acid SCHEMBL17783230 0.69 PKN2 (0.53) PKN2PIM1PIM2PIM3
SCHEMBL16492228 0.69 PKN2 (0.50) PKN2CDC7PNMTGSK3BCSNK1A1
SCHEMBL16492169 0.69 PKN2 (0.52) PKN2CDC7PIM1PIM2PNMT
SCHEMBL28452749 0.69 GSK3B (0.38) CDC7CHRNB2CHRNA4PNMTGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160151337-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS GRUENENTHAL GMBH (DE) 2016-06-02 — — US disclosed
US-20160151337-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS GRUENENTHAL GMBH (DE) 2016-06-02 — — US disclosed
WO-2015022073-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS Grünenthal GmbH (DE) 2015-02-19 — — 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 (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-20160151337-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS AADAC, PRRC2C, PRRC2A PKN2 3918/4885CDC7 1170/4885PIM1 427/4885

“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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