SCHEMBL5565602

SCHEMBL5565602

O[C@@H]1Cc2ccccc2[C@H]1Nc1nc(-c2ccccn2)nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.52
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.49
METAP1 P53582 4/20 0.48
PDE5A O76074 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
JAK2 O60674 1/20 0.47
PPP1CA P62136 1/20 0.47
HTT P42858 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HIF1A Q16665 1/20 0.46
GBA1 P04062 2/20 0.46
AURKA O14965 1/20 0.45
RPS6KB1 P23443 1/20 0.45

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
SCHEMBL5565597 1.00 ADORA3 (0.52) ADORA3KMT2AMEN1RAB9ANPC1
SCHEMBL3460118 1.00 ADORA3 (0.52) ADORA3KMT2AMEN1RAB9ANPC1
SCHEMBL3460150 1.00 ADORA3 (0.52) ADORA3KMT2AMEN1RAB9ANPC1
SCHEMBL3459814 0.89 GBA1 (0.47) GBA1AURKARPS6KB1
SCHEMBL3459455 0.85 AURKA (0.45) ADORA3KMT2AMEN1RAB9AGBA1
SCHEMBL3459952 0.85 GBA1 (0.63) ADORA3KMT2AMEN1PDE5AGBA1
SCHEMBL3459779 0.85 GBA1 (0.63) ADORA3KMT2AMEN1PDE5AGBA1
SCHEMBL3459386 0.83 GBA1 (0.66) PDE5AKDM4ESMN1; SMN2GBA1ALDH1A1
SCHEMBL3460107 0.83 GBA1 (0.66) PDE5AKDM4ESMN1; SMN2GBA1ALDH1A1
SCHEMBL3459459 0.83 AURKA (0.41) KMT2AMEN1RAB9AGBA1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161651-A1 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2007-07-12 US claimed
US-20070161651-A1 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2007-07-12 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-20070161651-A1 Tie-2 modulators and methods of use TIE1, TEK, KDR ADORA3 2841/4885KMT2A 682/4885MEN1 1132/4885

“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.