SCHEMBL1466583

SCHEMBL1466583

COC(=O)c1cncnc1NCc1ccncc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 9/20 0.60
▸ AGTR1 P30556 2/20 0.48
▸ AGTR2 P50052 2/20 0.48
▸ MAPT P10636 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ PDE5A O76074 1/20 0.45
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ CYP2C19 P33261 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ GLA P06280 1/20 0.42

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
SCHEMBL7119744 0.83 KDR (0.62) KDRCYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL6542710 0.82 KDR (0.62) KDRALDH1A1
SCHEMBL7996741 0.79 KDR (0.49) KDRMAPTALDH1A1PDE5ACYP1A2
SCHEMBL1715953 0.76 KDM4C (0.61) ALDH1A1HSD17B10TSHRKDM4EGLA
SCHEMBL1465529 0.76 KDR (0.46) KDRMAPTALDH1A1PDE5AHDAC3
SCHEMBL18070888 0.76 AGTR1 (0.61) KDRAGTR1AGTR2MAPTALDH1A1
SCHEMBL429092 0.75 KDR (0.78) KDR
SCHEMBL3151267 0.73 KDR (0.64) KDRALDH1A1KDM4E
SCHEMBL1714816 0.73 ALDH1A1 (0.71) KDRALDH1A1ALOX15HSD17B10TSHR
SCHEMBL3712006 0.72 RPS6KB1 (0.63) KDRAGTR1AGTR2ALDH1A1CYP1A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071165-A1 Aza- and polyazanthranyl amides and their use as medicaments NOVARTIS AG (CH) 2011-03-24 — — US claimed
US-20060287339-A1 Aza- and polyazanthranyl amides and their use as medicaments SEIDELMANN DIETER 2006-12-21 — — US claimed
US-20040224968-A1 Aza-and polyazanthranyl amides and their use as medicaments NOVARTIS AG (CH) 2004-11-11 — — US claimed
US-20110071165-A1 Aza- and polyazanthranyl amides and their use as medicaments NOVARTIS AG (CH) 2011-03-24 — — US disclosed
US-20060287339-A1 Aza- and polyazanthranyl amides and their use as medicaments SEIDELMANN DIETER 2006-12-21 — — US disclosed
US-20040224968-A1 Aza-and polyazanthranyl amides and their use as medicaments NOVARTIS AG (CH) 2004-11-11 — — 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 (3 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-20060287339-A1 Aza- and polyazanthranyl amides and their use as medicaments VEGFA, AZI2, TPMT KDR 8/4885AGTR1 1342/4885AGTR2 876/4885
US-20040224968-A1 Aza-and polyazanthranyl amides and their use as medicaments AZI2, VEGFA, TPMT KDR 19/4885AGTR1 1691/4885AGTR2 1013/4885
US-20110071165-A1 Aza- and polyazanthranyl amides and their use as medicaments VEGFA, AZI2, TPMT KDR 8/4885AGTR1 1342/4885AGTR2 876/4885

“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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