SCHEMBL4868754

SCHEMBL4868754

Cc1nc(-c2cccnc2)cn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.45
CYP2A6 P11509 8/20 0.44
NPY5R Q15761 1/20 0.43
CYP2E1 P05181 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2B6 P20813 3/20 0.42
CYP2C19 P33261 3/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CYP3A4 P08684 3/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP2D6 P10635 1/20 0.40
AURKA O14965 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TLR8 Q9NR97 1/20 0.40
PDE10A Q9Y233 1/20 0.39
ALK Q9UM73 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL6197960 0.87 KDM4E (0.45) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL4869680 0.75 CYP2A6 (0.45) CYP2A6NPY5RCYP2E1CYP2C9CYP2B6
SCHEMBL27656597 0.74 PDE10A (0.54) CYP19A1CYP2A6CYP2E1CYP2C9CYP2B6
SCHEMBL4884756 0.72 CYP11B1 (0.35) RAB9ANPC1ALDH1A1KDM4E
SCHEMBL17688341 0.71 CYP2A6 (0.55) CYP19A1CYP2A6CYP2E1CYP2C9CYP2B6
SCHEMBL2690120 0.71 CYP2A6 (0.49) CYP19A1CYP2A6CYP2E1CYP2C9CYP2B6
SCHEMBL9408078 0.71 ALDH1A1 (0.36) CYP19A1CYP2C9CYP2C19RAB9ACYP3A4
SCHEMBL2691744 0.70 CYP2A6 (0.45) CYP19A1CYP2A6CYP2E1CYP2C9CYP2B6
SCHEMBL11996131 0.69 CYP19A1 (0.71) CYP19A1CYP2A6NPY5RCYP2E1CYP2C9
SCHEMBL948070 0.69 P2RX7 (0.37) RAB9AALDH1A1MEN1KMT2AKDM4E

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 CYP19A1 751/4885CYP2A6 57/4885NPY5R 1184/4885
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity MRPL21, CYP51A1, CEL CYP19A1 454/4885CYP2A6 68/4885NPY5R 2767/4885

“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.