SCHEMBL4867189

SCHEMBL4867189

COc1ccc(-c2cn(CN3C(=O)c4ccccc4C3=O)cn2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
EPHB4 P54760 2/20 0.41
CYP11B1 P15538 1/20 0.41
RAB9A P51151 1/20 0.40
KDR P35968 4/20 0.40
GRM5 P41594 1/20 0.39
FYN P06241 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
TEK Q02763 2/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38

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
SCHEMBL4862596 0.87 RAB9A (0.41) KDM4EUSP2LMNAPOLBTSHR
SCHEMBL4863313 0.84 CYP2E1 (0.44) TSHRRAB9ACYP2E1CYP3A4CYP2A6
SCHEMBL4867872 0.81 HPGDS (0.41) KDM4ERAB9AGRM5CYP2E1CYP3A4
SCHEMBL4867115 0.81 HPGDS (0.39) RAB9AKDRGRM5CYP2E1CYP3A4
SCHEMBL14268951 0.79 CYP2E1 (0.46) RAB9ACYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL14268956 0.73 CYP2E1 (0.42) RAB9ACYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL14268981 0.73 CYP11B1 (0.44) CYP11B1KDRFYNCYP2E1CYP3A4
SCHEMBL5685908 0.72 KDM4E (0.43) KDM4EUSP2LMNAPOLBTSHR
SCHEMBL14268993 0.72 CASP3 (0.42) KDM4ELMNATSHREPHB4RAB9A
SCHEMBL4868781 0.72 CYP11B1 (0.43) EPHB4CYP11B1KDRFYNCYP2E1

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 6 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-7163924-B2 Ketolide derivatives CHIRON CORPORATION (US) 2007-01-16 US 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

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 KDM4E 74/4885USP2 4075/4885LMNA 1015/4885
US-20050153905-A1 Novel ketolide derivatives KHK, CYP51A1, SI KDM4E 45/4885USP2 3392/4885LMNA 3071/4885

“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.