SCHEMBL449078

SCHEMBL449078

N#CCOc1cncc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 3/20 0.42
▸ CHRNA4 P43681 3/20 0.42

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
SCHEMBL28048128 0.78 CHRNB2 (0.43) CHRNB2CHRNA4
SCHEMBL15547729 0.78 SYK (0.41) CHRNB2CHRNA4
SCHEMBL19668758 0.76 CHRNB2 (0.46) CHRNB2CHRNA4
SCHEMBL26923027 0.75 CHRNB2 (0.45) CHRNB2CHRNA4
SCHEMBL188568 0.75 CHRNB2 (0.49) CHRNB2CHRNA4
SCHEMBL17841473 0.73 CHRNB2 (0.46) CHRNB2CHRNA4
SCHEMBL9227008 0.73 CA12 (0.50) CHRNB2CHRNA4
SCHEMBL17841557 0.72 CHRNB2 (0.44) CHRNB2CHRNA4
SCHEMBL6253280 0.72 CHRNB2 (0.43) CHRNB2CHRNA4
SCHEMBL219260 0.72 CYP11B1 (0.43) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183232-B1 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2013-03-06 — — EP disclosed
US-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 — — US disclosed
WO-2011123674-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-06 — — WO disclosed
US-7928140-B2 Benzothiazole PI3 kinase modulators for cancer treatment AMGEN INC. (US) 2011-04-19 — — US disclosed
EP-2183232-A2 PI3 KINASE MODULATORS AND METHODS OF USE Amgen, Inc (US) 2010-05-12 — — EP disclosed
US-20090054405-A1 PI3 kinase modulators and methods of use AMGEN INC. (US) 2009-02-26 — — US disclosed
WO-2009017822-A2 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2009-02-05 — — 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-20090054405-A1 PI3 kinase modulators and methods of use PIK3CA, PIK3C2A, PIK3C2B CHRNB2 3960/4885CHRNA4 3513/4885
US-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES APP, BACE1, PSEN1 CHRNB2 55/4885CHRNA4 319/4885

“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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