SCHEMBL31003501

SCHEMBL31003501

Nc1nc(-c2ccccc2OCCO)c2ccccc2n1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 13/20 0.64
▸ NUDT1 P36639 3/20 0.53
▸ SCN9A Q15858 1/20 0.47
▸ ALOX5AP P20292 2/20 0.45
▸ FEN1 P39748 2/20 0.45
▸ DHFR P00374 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL31003508 0.79 ADORA2A (0.50) ADORA2AALOX5APFEN1TP53MAPK1
SCHEMBL4322580 0.73 NCF1 (0.75) —
SCHEMBL29418129 0.72 TP53 (0.69) TP53MAPK1RAB9A
SCHEMBL159005 0.72 TP53 (0.69) TP53MAPK1RAB9A
SCHEMBL1938309 0.72 TP53 (0.57) ALOX5APFEN1TP53MAPK1RAB9A
SCHEMBL16863977 0.71 DCPS (0.63) DHFR
SCHEMBL421987 0.70 ADORA2A (1.00) ADORA2ANUDT1SCN9A
SCHEMBL27310325 0.70 ADORA2A (1.00) ADORA2ANUDT1DHFR
SCHEMBL7645459 0.70 HTR1B (0.54) TP53MAPK1RAB9A
SCHEMBL16614075 0.70 ADORA2A (0.70) ADORA2ANUDT1SCN9A

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-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 — — US claimed
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 — — 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-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 ADORA2A 1163/4885NUDT1 1078/4885SCN9A 939/4885

“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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