SCHEMBL4869680

SCHEMBL4869680

Cc1c(-c2cccnc2)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 9/20 0.45
NPY5R Q15761 2/20 0.43
CYP2E1 P05181 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2B6 P20813 3/20 0.39
CYP2C19 P33261 3/20 0.39
KIF11 P52732 1/20 0.39
CYP3A4 P08684 4/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE3A Q14432 1/20 0.37
PDE10A Q9Y233 1/20 0.37
CYP2D6 P10635 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL3855448 0.87 NSD3 (0.38) ALDH1A1MAPTTDP1KDM4ESMN1; SMN2
SCHEMBL4870634 0.80 MEN1 (0.40) CYP2A6ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL4868754 0.75 CYP19A1 (0.45) CYP2A6NPY5RCYP2E1CYP2C9CYP2B6
SCHEMBL10439558 0.72 CYP1A2 (0.44) CYP2C9CYP2C19CYP3A4ALDH1A1CYP1A2
SCHEMBL643163 0.69 CYP11B1 (0.37) CYP2C9CYP2C19CYP3A4ALDH1A1CYP1A2
SCHEMBL3855008 0.69 NSD3 (0.46) L3MBTL1SMN1; SMN2KDRMEN1KMT2A
SCHEMBL17688341 0.69 CYP2A6 (0.55) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL3847608 0.67 GAA (0.41) CYP2A6NPY5RKIF11ALDH1A1GAA
SCHEMBL312495 0.66 KDM4C (0.39) CYP2A6ALDH1A1MAPTKDM4EMEN1
SCHEMBL12907351 0.66 CYP3A4 (0.36) CYP2C19CYP3A4ALDH1A1CYP1A2KDM4E

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
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
EP-1618119-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS CHIRON CORPORATION (US) 2006-01-25 EP 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
US-6756359-B2 ADMINISTERING A 14 MEMBERED MACROLIDE AND KETOLIDE ANTIBIOTICS CONTAINING C12 MODIFICATIONS TO A PATIENT SUFFERING FROM BACTERIAL INFECTIONS CHIRON CORPORATION 2004-06-29 US disclosed
EP-1404693-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2004-04-07 EP disclosed
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity CHU DANIEL (US) 2003-07-03 US disclosed
WO-2003004509-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2003-01-16 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 CYP2A6 57/4885NPY5R 1184/4885CYP2E1 323/4885
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity MRPL21, CYP51A1, CEL CYP2A6 68/4885NPY5R 2767/4885CYP2E1 362/4885

“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.