SCHEMBL4866820

SCHEMBL4866820

Cc1ncn(CCCCN2C(=O)c3ccccc3C2=O)c1-c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 2/20 0.46
GAA P10253 2/20 0.42
CREBBP Q92793 1/20 0.41
HTR1A P08908 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TBXAS1 P24557 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
SCHEMBL4862910 0.84 KMT2A (0.46) KMT2AMAPK1HTTGAACREBBP
SCHEMBL8086804 0.75 CYP2E1 (0.58) KMT2AMAPK1HTTGAAHTR1A
SCHEMBL8445961 0.75 CREBBP (0.50) KMT2ACREBBP
SCHEMBL5092010 0.74 PRKD3 (0.55) KMT2AHTTCREBBP
SCHEMBL14268959 0.73 HTT (0.43) KMT2AMAPK1HTTGAACREBBP
SCHEMBL3634653 0.72 QPCT (0.49)
SCHEMBL6959403 0.71 KMT2A (0.49) KMT2AMAPK1HTTGAANPSR1
SCHEMBL4866796 0.70 CYP2A6 (0.47) KMT2AMAPK1HTTGAA
SCHEMBL8910934 0.70 ESR1 (0.56) KMT2AHTTHTR1A
SCHEMBL661168 0.70 QPCT (0.52)

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 KMT2A 2250/4885MAPK1 1652/4885HTT 4317/4885
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity MRPL21, CYP51A1, CEL KMT2A 1920/4885MAPK1 1687/4885HTT 3390/4885

“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.