SCHEMBL4019561

SCHEMBL4019561

Nc1ncnc2c1N=C(NCc1cccnc1)[N]2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.51
▸ CYP2C19 P33261 3/20 0.46
▸ LTA4H P09960 1/20 0.46
▸ MMP13 P45452 1/20 0.44
▸ CYP1A2 P05177 5/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP3A4 P08684 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ CLK4 Q9HAZ1 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 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
SCHEMBL986023 0.71 CYP2C19 (0.56) KDM4CCYP2C19LTA4HCYP1A2CYP2D6
SCHEMBL10483507 0.71 MEN1 (0.57) KDM4CCYP2C19LTA4HCYP1A2CYP2D6
SCHEMBL11638075 0.69 LTA4H (0.61) KDM4CCYP2C19LTA4HCYP1A2CYP2D6
SCHEMBL2120263 0.68 LTA4H (0.65) CYP2C19LTA4HCYP1A2CYP2D6CYP3A4
SCHEMBL17802555 0.68 KDM4C (1.00) KDM4CCYP2C19CYP1A2CYP2D6HTT
SCHEMBL30850661 0.67 KDM4C (0.59) KDM4CCYP2C19LTA4HCYP1A2CYP2D6
SCHEMBL17017484 0.67 KDM4C (0.59) KDM4CCYP2C19LTA4HCYP1A2CYP2D6
SCHEMBL30784987 0.66 MEN1 (0.62) KDM4CCYP2C19LTA4HCYP1A2CYP2D6
SCHEMBL30784980 0.66 MEN1 (0.62) KDM4CCYP2C19LTA4HCYP1A2CYP2D6
SCHEMBL11757124 0.66 MEN1 (0.62) KDM4CCYP2C19LTA4HCYP1A2CYP2D6

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-7524823-B2 Macrolides BASILEA PHARMACEUTICA AG (CH) 2009-04-28 — — US disclosed
EP-1846430-B1 NEW MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-04-01 — — EP disclosed
EP-1846430-A1 NEW MACROLIDES Basilea Pharmaceutica AG (CH) 2007-10-24 — — EP disclosed
US-20060264387-A1 Macrolides BASILEA PHARMACEUTICA AG (CH) 2006-11-23 — — US disclosed
WO-2006084410-A1 NEW MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2006-08-17 — — 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 (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-20060264387-A1 Macrolides PPME1, MGAM, SMPD1 KDM4C 4233/4885CYP2C19 291/4885LTA4H 199/4885

“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.

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