SCHEMBL1642010

SCHEMBL1642010

CN(C)CCCc1c(N)ccc(N)c1F

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 9/20 0.43
NOS3 P29474 6/20 0.41
NOS2 P35228 5/20 0.41
TAAR1 Q96RJ0 2/20 0.38
RAD52 P43351 1/20 0.36
MPO P05164 1/20 0.36
SLC6A4 P31645 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
S100B P04271 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 SCHEMBL3425848 0.98 NOS1 (0.42) NOS1NOS3NOS2TAAR1RAD52
SCHEMBL3872243 0.80 NOS1 (0.46) NOS1NOS3NOS2TAAR1RAD52
SCHEMBL15556560 0.78 SKP2 (0.50) NOS2S100B
SCHEMBL7971745 0.76 NOS1 (0.40) NOS1NOS3NOS2RAD52SLC6A4
SCHEMBL29229089 0.74 TAAR1 (0.37) NOS1NOS3NOS2TAAR1
SCHEMBL787641 0.73 NOS1 (0.37) NOS1NOS3NOS2TAAR1RAD52
SCHEMBL21358258 0.72 HTR6 (0.40) NOS1NOS3NOS2TAAR1
SCHEMBL23861145 0.70 NOS1 (0.46) NOS1
SCHEMBL15556702 0.70 KDM4E (0.35) S100B
SCHEMBL23579152 0.69 SKP2 (0.46) NOS1NOS3NOS2SLC6A4SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971606-B1 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-04-24 EP disclosed
US-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-04-28 US disclosed
US-7807673-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-05 US disclosed
EP-2231625-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-09-29 EP disclosed
WO-2009076140-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-18 WO disclosed
US-20090149456-A1 2-Pyrimidinyl Pyrazolopyridine ErbB Kinase Inhibitors GLAXOSMITHKLINE LLC 2009-06-11 US disclosed
EP-1971606-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-09-24 EP disclosed
WO-2007067506-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-14 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 (2 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-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors PDXK, MAP3K1, MAP4K2 NOS1 2965/4885NOS3 2568/4885NOS2 3090/4885
US-20090149456-A1 2-Pyrimidinyl Pyrazolopyridine ErbB Kinase Inhibitors ERBB2, ERBB3, ERBB4 NOS1 4573/4885NOS3 4156/4885NOS2 3998/4885

“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.