SCHEMBL7036723

SCHEMBL7036723

COc1ccc(CNc2ccc(-c3cn4ccnc4c(N)n3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.52
ADORA1 P30542 1/20 0.51
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SYK P43405 2/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GLA P06280 1/20 0.46
POLB P06746 1/20 0.46
CD63 P08962 1/20 0.46
TMIGD3 P0DMS9 2/20 0.46
EPHB4 P54760 1/20 0.45
CLK1 P49759 1/20 0.45
CLK2 P49760 1/20 0.45
DYRK1A Q13627 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
GHSR Q92847 1/20 0.44

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
SCHEMBL7041330 0.88 AURKA (0.59) AURKAADORA1SYKPOLBCD63
SCHEMBL6222008 0.80 EPHB4 (0.53) AURKASYKCD63TMIGD3EPHB4
SCHEMBL5478336 0.73 RAB9A (0.59) AURKAADORA1NPC1RAB9ASYK
SCHEMBL5478121 0.71 EPHB4 (0.64) AURKAEPHB4
SCHEMBL21167350 0.71 TRIM33 (0.42) AURKANPC1RAB9AKDM4ECLK1
SCHEMBL5408059 0.70 ADORA1 (0.68) AURKAADORA1NPC1RAB9AKDM4E
SCHEMBL1844199 0.69 MAPT (0.82) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL5669873 0.69 MAPT (0.82) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL10055019 0.69 MAPT (0.82) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL5483666 0.68 EPHB4 (0.56) AURKAADORA1NPC1RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212073-A1 Imidazo[1,2-a]pyrazin-8-ylamines, method of making, and method of use thereof GILEAD CONNECTICUT, INC. 2003-11-13 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-20030212073-A1 Imidazo[1,2-a]pyrazin-8-ylamines, method of making, and method of use thereof PRKACA, MAP3K8, MAP3K1 AURKA 227/4885ADORA1 1345/4885NPC1 1362/4885

“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.