SCHEMBL3506547

SCHEMBL3506547

Nc1ncc2ncn(-n3cnc4c(N)ncnc43)c2n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 11/20 0.46
▸ ADORA1 P30542 8/20 0.46
▸ PI4KA P42356 12/20 0.43
▸ PI4K2B Q8TCG2 12/20 0.43
▸ PI4K2A Q9BTU6 12/20 0.43
▸ PI4KB Q9UBF8 12/20 0.43
▸ ADORA2B P29275 4/20 0.43
▸ EGFR P00533 1/20 0.41
▸ ADORA3 P0DMS8 2/20 0.40
▸ AHCY P23526 1/20 0.40

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
SCHEMBL27035498 0.85 HDAC6 (0.35) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28480707 0.84 CDK1 (0.47) ADORA2AAHCY
SCHEMBL7534078 0.82 CYP1A2 (0.47) —
SCHEMBL580610 0.82 ADORA2A (0.64) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL120720 0.81 ADORA2A (0.49) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28413958 0.80 ADORA2A (0.62) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL9014630 0.80 FDPS (0.36) EGFR
SCHEMBL10460432 0.79 ADORA2A (0.46) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28410735 0.78 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL6036330 0.75 CDK1 (0.44) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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-20120178181-A1 DEVICE AND METHOD FOR LABEL-FREE DETECTION OF DNA HYBRIDIZATION WILLIAM MARCH RICE UNIVERSITY (US) 2012-07-12 — — US disclosed
US-20100249219-A1 SHORT RNA ANTAGONIST COMPOUNDS FOR THE MODULATION OF HIF-1ALPHA SANTARIS PHARMA A/S (DK) 2010-09-30 — — 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-20100249219-A1 SHORT RNA ANTAGONIST COMPOUNDS FOR THE MODULATION OF HIF-1ALPHA HIF1AN, HIF1A, VHL ADORA2A 1766/4885ADORA1 2087/4885PI4KA 2699/4885

“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.

Send feedback