SCHEMBL844549

SCHEMBL844549

OCc1cncc(-c2cccnc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.68
MKNK2 Q9HBH9 3/20 0.68
CYP2A6 P11509 7/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
EPHX2 P34913 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
CYP11B1 P15538 3/20 0.49
CYP11B2 P19099 3/20 0.49
PRKCI P41743 1/20 0.49
KDM4E B2RXH2 1/20 0.47
FYN P06241 1/20 0.47
MEN1 O00255 1/20 0.46
PSIP1 O75475 1/20 0.46
AXL P30530 1/20 0.46
EGFR P00533 1/20 0.45
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
KMO O15229 1/20 0.45

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
SCHEMBL16996659 0.87 MKNK1 (0.70) MKNK1MKNK2CYP2A6ALDH1A1CYP1A2
SCHEMBL30484231 0.85 MKNK1 (0.68) MKNK1MKNK2CYP2A6ALDH1A1CYP1A2
SCHEMBL4581739 0.85 MKNK1 (0.68) MKNK1MKNK2CYP2A6ALDH1A1CYP1A2
SCHEMBL5021553 0.85 FDPS (0.57) MKNK1MKNK2CYP2A6CYP11B1CYP11B2
SCHEMBL844599 0.81 CYP2A6 (0.56) MKNK1MKNK2CYP2A6ALDH1A1CYP1A2
SCHEMBL16118323 0.81 CYP2A6 (0.56) MKNK1MKNK2CYP2A6ALDH1A1CYP1A2
SCHEMBL1690457 0.81 CYP2A6 (0.68) MKNK1MKNK2CYP2A6ALDH1A1CYP1A2
SCHEMBL13066714 0.81 CYP2A6 (0.56) MKNK1MKNK2CYP2A6ALDH1A1CYP1A2
SCHEMBL6212482 0.81 MKNK1 (1.00) MKNK1MKNK2CYP2A6ALDH1A1CYP1A2
SCHEMBL30462079 0.81 MKNK1 (1.00) MKNK1MKNK2CYP2A6ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109438457-B Synthesis method of diimide-based macrocyclic compound 北京理工大学 2020-08-04 CN claimed
CN-109438457-B Synthesis method of diimide-based macrocyclic compound 北京理工大学 2020-08-04 CN disclosed
CN-109438457-B Synthesis method of diimide-based macrocyclic compound 北京理工大学 2020-08-04 CN disclosed
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
CN-109438457-A A kind of synthetic method of novel imidodicarbonic diamide base macrocyclic compound 北京理工大学 2019-03-08 CN disclosed
CN-109438457-A A kind of synthetic method of novel imidodicarbonic diamide base macrocyclic compound 北京理工大学 2019-03-08 CN disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
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 MKNK1 700/4885MKNK2 1101/4885CYP2A6 57/4885
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity MRPL21, CYP51A1, CEL MKNK1 2019/4885MKNK2 2037/4885CYP2A6 68/4885

“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.