SCHEMBL4868554

SCHEMBL4868554

CN(CCN)Cc1cncc(-c2cccnc2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 12/20 0.60
CHRNB2 P17787 2/20 0.49
CHRNA4 P43681 2/20 0.49
CARM1 Q86X55 1/20 0.47
PRMT8 Q9NR22 1/20 0.47
CYP2A6 P11509 2/20 0.45
EPHX2 P34913 1/20 0.43
CHRNA7 P36544 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL4862940 0.84 CHRNB2 (0.69) PRMT6CHRNB2CHRNA4CARM1PRMT8
SCHEMBL1690457 0.77 CYP2A6 (0.68) PRMT6CYP2A6EPHX2CHRNA7ALDH1A1
SCHEMBL5115281 0.75 CHRNB2 (0.65) PRMT6CHRNB2CHRNA4CARM1PRMT8
SCHEMBL16118323 0.74 CYP2A6 (0.56) PRMT6CHRNB2CHRNA4CYP2A6EPHX2
SCHEMBL16125893 0.72 MAPK1 (0.60) PRMT6CARM1PRMT8CYP2A6ALDH1A1
SCHEMBL13066714 0.71 CYP2A6 (0.56) PRMT6CYP2A6EPHX2ALDH1A1CYP1A2
SCHEMBL844549 0.71 MKNK1 (0.68) PRMT6CYP2A6EPHX2ALDH1A1CYP1A2
SCHEMBL844599 0.71 CYP2A6 (0.56) PRMT6CYP2A6EPHX2ALDH1A1CYP1A2
SCHEMBL4869525 0.70 CYP2A6 (0.50) PRMT6CYP2A6EPHX2ALDH1A1CYP1A2
SCHEMBL10028665 0.69 CHRNB2 (0.85) CHRNB2CHRNA4CHRNA7ALDH1A1CYP1A2

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 3 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

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 PRMT6 3551/4885CHRNB2 4844/4885CHRNA4 4882/4885

“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.