SCHEMBL4864735

SCHEMBL4864735

Clc1ccncc1-c1c[nH]cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA7 P36544 2/20 0.36
CHRNA4 P43681 2/20 0.36
NFATC1 O95644 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
CDC25B P30305 1/20 0.35
GAA P10253 1/20 0.34
LIMK1 P53667 1/20 0.34
CYP17A1 P05093 3/20 0.33
ABL1 P00519 1/20 0.33
PTGS2 P35354 1/20 0.33
CCNT1 O60563 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CDK9 P50750 1/20 0.32
CCNA1 P78396 1/20 0.32
CDK5 Q00535 1/20 0.32

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
SCHEMBL30697682 0.76 IDO1 (0.48)
SCHEMBL30641509 0.75 ALDH1A1 (0.37) LIMK1ABL1NPY5R
SCHEMBL2942923 0.73 CDC25B (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL30350188 0.73 CDC25B (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6706693 0.73 IDO1 (0.50)
SCHEMBL27318149 0.70 AHR (0.39)
SCHEMBL4869539 0.69 NPC1 (0.40) GSK3BDYRK1ACDC25BCDK9CDK5
SCHEMBL6812754 0.69 HSP90AA1 (0.45)
SCHEMBL443810 0.69 MAPT (0.43) GSK3BDYRK1AGAA
Hydrochloric Acid SCHEMBL17275840 0.67 MAPT (0.42) GSK3BDYRK1AGAA

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-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
US-7163924-B2 Ketolide derivatives CHIRON CORPORATION (US) 2007-01-16 US disclosed
US-7163924-B2 Ketolide derivatives CHIRON CORPORATION (US) 2007-01-16 US disclosed
EP-1618120-A2 NOVEL KETOLIDE DERIVATIVES CHIRON CORPORATION (US) 2006-01-25 EP disclosed
EP-1618119-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS CHIRON CORPORATION (US) 2006-01-25 EP disclosed
US-20050153905-A1 Novel ketolide derivatives CHIRON CORPORATION (US) 2005-07-14 US disclosed
US-20050009764-A1 Pyridyl substituted ketolide antibiotics CHIRON CORPORATION (US) 2005-01-13 US disclosed
WO-2004096822-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS CHIRON CORPORATION (US) 2004-11-11 WO disclosed
WO-2004096823-A2 NOVEL KETOLIDE DERIVATIVES CHIRON CORPORATION (US) 2004-11-11 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-20050009764-A1 Pyridyl substituted ketolide antibiotics PKLR, KHK, PGD CHRNB2 4875/4885CHRNB4 4857/4885CHRNA3 4856/4885
US-20050153905-A1 Novel ketolide derivatives KHK, CYP51A1, SI CHRNB2 4876/4885CHRNB4 4859/4885CHRNA3 4869/4885

“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.