SCHEMBL4862940

SCHEMBL4862940

CN(CCN)Cc1cccnc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.69
CHRNA4 P43681 3/20 0.69
PRMT6 Q96LA8 2/20 0.62
CARM1 Q86X55 1/20 0.62
PRMT8 Q9NR22 1/20 0.62
CHRNA7 P36544 2/20 0.55
CYP2A6 P11509 1/20 0.51
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HRH1 P35367 2/20 0.49
MAPK1 P28482 1/20 0.46
RIPK1 Q13546 1/20 0.46
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45
OPRK1 P41145 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL5115281 0.90 CHRNB2 (0.65) CHRNB2CHRNA4PRMT6CARM1PRMT8
SCHEMBL10028665 0.85 CHRNB2 (0.85) CHRNB2CHRNA4CHRNA7KDM4EALDH1A1
SCHEMBL16627431 0.84 CHRNB2 (0.77) CHRNB2CHRNA4CHRNA7KDM4EALDH1A1
SCHEMBL4868554 0.84 PRMT6 (0.60) CHRNB2CHRNA4PRMT6CARM1PRMT8
SCHEMBL9827841 0.83 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA7KDM4EALDH1A1
SCHEMBL27928441 0.82 CHRNA7 (0.58) CHRNB2CHRNA4CHRNA7CYP2A6HRH1
SCHEMBL31044635 0.82 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7KDM4EALDH1A1
SCHEMBL6674571 0.82 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7KDM4EALDH1A1
SCHEMBL30093157 0.82 CHRNB2 (0.79) CHRNB2CHRNA4CHRNA7KDM4EALDH1A1
SCHEMBL11922687 0.81 CHRNB2 (0.72) CHRNB2CHRNA4CHRNA7KDM4EALDH1A1

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 5 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-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
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity CHU DANIEL (US) 2003-07-03 US disclosed
US-6191118-B1 ANTIBIOTICS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2001-02-20 US disclosed
EP-0945459-A1 ERYTHROMYCIN A DERIVATIVES TAISHO PHARMACEUTICAL CO. LTD (JP) 1999-09-29 EP 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 (1 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 CHRNB2 4844/4885CHRNA4 4882/4885PRMT6 3551/4885

“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.