SCHEMBL4868679

SCHEMBL4868679

Clc1ccc(-c2c[nH]cn2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.46
CYP2A6 P11509 1/20 0.43
CHRNB2 P17787 4/20 0.41
CHRNA4 P43681 3/20 0.41
NOTUM Q6P988 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NAPRT Q6XQN6 1/20 0.37
CHRNA7 P36544 2/20 0.36
CHRNA3 P32297 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL23124011 0.78 CYP19A1 (0.40) CHRNB2CHRNA4
SCHEMBL29786258 0.78 CYP19A1 (0.40) CHRNB2CHRNA4
SCHEMBL44172 0.78 METAP2 (0.44) NOTUMNPC1RAB9AALDH1A1KDM4E
SCHEMBL4166238 0.78 MAPT (0.33) KDM4E
SCHEMBL29786259 0.77 MAPT (0.45) CYP2A6CHRNB2CHRNA4CHRNA7CHRNA3
SCHEMBL4865443 0.77 MAPT (0.45) CYP2A6CHRNB2CHRNA4CHRNA7CHRNA3
SCHEMBL20054187 0.77 AKT1 (0.30)
Hydrochloric Acid SCHEMBL15367017 0.76 HPGDS (0.43) PIK3CDCHRNB2CHRNA4NPC1RAB9A
SCHEMBL21238965 0.74 PIK3CD (0.50) PIK3CDCYP2A6CHRNB2CHRNA4NOTUM
SCHEMBL1662273 0.73 PIK3CD (0.73) PIK3CDCYP2A6CHRNB2CHRNA4NOTUM

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 11 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-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 PIK3CD 231/4885CYP2A6 57/4885CHRNB2 4875/4885
US-20050153905-A1 Novel ketolide derivatives KHK, CYP51A1, SI PIK3CD 380/4885CYP2A6 110/4885CHRNB2 4876/4885

“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.