SCHEMBL4870435

SCHEMBL4870435

CN(CCN)Cc1ccc2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.51
PRMT6 Q96LA8 2/20 0.51
PRMT8 Q9NR22 2/20 0.51
NCF1 P14598 2/20 0.44
CXCR4 P61073 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
NOS2 P35228 1/20 0.40
BACE1 P56817 1/20 0.40
PDE10A Q9Y233 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
ALOX5 P09917 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
PRMT3 O60678 1/20 0.39
LMNA P02545 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
SCHEMBL24943586 0.88 NCF1 (0.52) NCF1CYP1A2CYSLTR2CYSLTR1NOS2
SCHEMBL21066763 0.85 NCF1 (0.46) NCF1CYP1A2CYSLTR2CYSLTR1PDE10A
SCHEMBL4729159 0.83 CXCR4 (0.49) NCF1CXCR4CYP1A2CYSLTR2CYSLTR1
SCHEMBL21066731 0.82 GPBAR1 (0.48) NCF1CYP1A2CYSLTR2CYSLTR1PDE10A
SCHEMBL12468389 0.80 NCF1 (0.52) NCF1CYP1A2CYSLTR2CYSLTR1PDE10A
SCHEMBL19603244 0.78 NCF1 (0.40) NCF1CYP1A2CYSLTR2CYSLTR1PDE10A
SCHEMBL15212024 0.76 HDAC1 (0.56) NCF1CXCR4CYP1A2CYSLTR2CYSLTR1
SCHEMBL9736388 0.75 CYSLTR1 (0.48) CYSLTR2CYSLTR1PDE10AALOX5
SCHEMBL3892348 0.74 HDAC1 (0.51) NCF1CXCR4CYP1A2CYSLTR2CYSLTR1
SCHEMBL2305245 0.74 PDE10A (0.50) NCF1CYP1A2CYSLTR2CYSLTR1NOS2

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-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-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 CARM1 4584/4885PRMT6 3551/4885PRMT8 3768/4885

“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.