SCHEMBL455756

SCHEMBL455756

[CH2]CCCc1nc(-c2cccnc2)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
CYP2A6 P11509 6/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2B6 P20813 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2E1 P05181 2/20 0.41
PDGFRB P09619 1/20 0.40
CYP19A1 P11511 3/20 0.40
METAP2 P50579 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
AXL P30530 1/20 0.38
PBRM1 Q86U86 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 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
SCHEMBL7686070 0.91 MAPK1 (0.43) MAPK1CYP2A6CYP3A4CYP2B6CYP2D6
SCHEMBL1133233 0.86 CYP2A6 (0.47) MAPK1CYP2A6CYP3A4CYP2B6CYP2D6
SCHEMBL2323022 0.84 HRH1 (0.48) MAPK1CYP2A6CYP3A4CYP2B6CYP2D6
SCHEMBL16458131 0.83 MAPK1 (0.40) MAPK1CYP2A6CYP3A4CYP2B6CYP2D6
SCHEMBL5673498 0.83 SMN1; SMN2 (0.36) MAPK1PDGFRBALDH1A1PIM1
SCHEMBL5025500 0.82 MAPK1 (0.43) MAPK1CYP2A6CYP3A4CYP2B6CYP2D6
SCHEMBL6570950 0.82 MAPK1 (0.39) MAPK1CYP2A6CYP3A4CYP2B6CYP2D6
SCHEMBL5677776 0.82 MAPK1 (0.34) MAPK1CYP2A6CYP3A4CYP2B6CYP2D6
SCHEMBL4861987 0.82 GSK3B (0.43) MAPK1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7067440 0.82 MAPK1 (0.41) MAPK1CYP2A6CYP3A4CYP2B6CYP2D6

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124744-B2 Macrolide derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-02-28 US claimed
EP-2077271-A1 MACROLIDE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2009-07-08 EP claimed
US-20090076253-A1 MACROLIDE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2009-03-19 US claimed
EP-1171447-A2 KETOLIDE ANTIBACTERIALS Ortho-McNeil Pharmaceutical, Inc. (US) 2002-01-16 EP claimed
WO-2000062783-A2 KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-10-26 WO claimed
EP-2613630-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES Cempra Pharmaceuticals, Inc. (US) 2013-07-17 EP disclosed
WO-2012034058-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES CEMPRA PHARMACEUTICALS, INC. (US) 2012-03-15 WO disclosed
US-8124744-B2 Macrolide derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-02-28 US disclosed
US-8076301-B2 10-substituted macrolide antibiotics C10 PHARMA AS (NO) 2011-12-13 US disclosed
EP-2371833-A2 10-substituted macrolide antibiotics C10 Pharma AS (NO) 2011-10-05 EP disclosed
EP-2354147-A2 10-substituted macrolide antibiotics C10 Pharma AS (NO) 2011-08-10 EP disclosed
US-20100137234-A1 10-SUBSTITUTED MACROLIDE ANTIBIOTICS C10 PHARMA AS (NO) 2010-06-03 US 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
EP-1345953-A2 KETOLIDE ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2003-09-24 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
WO-2002032918-A2 KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-04-25 WO disclosed
EP-1171447-A2 KETOLIDE ANTIBACTERIALS Ortho-McNeil Pharmaceutical, Inc. (US) 2002-01-16 EP disclosed
WO-2000062783-A2 KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-10-26 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 (3 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-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity MRPL21, CYP51A1, CEL MAPK1 1687/4885CYP2A6 68/4885CYP3A4 120/4885
US-20090076253-A1 MACROLIDE DERIVATIVES MMP9, MMP2, MMP11 MAPK1 1358/4885CYP2A6 1058/4885CYP3A4 1429/4885
US-20100137234-A1 10-SUBSTITUTED MACROLIDE ANTIBIOTICS RPLP0, RPS10, MRPL21 MAPK1 4786/4885CYP2A6 1078/4885CYP3A4 608/4885

“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.