SCHEMBL3334070

SCHEMBL3334070

Nc1nc(OCC2CCC2)c2cc(-c3ccco3)ccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.59
CCNA2 P20248 7/20 0.59
CCNA1 P78396 6/20 0.59
TRIM58 Q8NG06 1/20 0.42
HRH1 P35367 2/20 0.42
HRH4 Q9H3N8 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
KCNH2 Q12809 1/20 0.42
ADORA2A P29274 6/20 0.41
ADORA1 P30542 3/20 0.39
CDK1 P06493 3/20 0.38
CCNB1 P14635 3/20 0.38
CCNB2 O95067 2/20 0.38
CCNB3 Q8WWL7 2/20 0.38
MAPK3 P27361 1/20 0.38
CLK1 P49759 1/20 0.38
CDK5 Q00535 1/20 0.38
PIN1 Q13526 1/20 0.38
MAP3K5 Q99683 1/20 0.38
ADORA2B P29275 2/20 0.37

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
SCHEMBL3334827 0.82 TRIM58 (0.43) CDK2CCNA2CCNA1TRIM58CDK1
SCHEMBL3336846 0.82 ADORA2A (0.49) CDK2HRH1HRH4HRH3KCNH2
SCHEMBL3337900 0.82 TRIM58 (0.43) CDK2CCNA2CCNA1TRIM58HRH1
SCHEMBL3337015 0.80 TRIM58 (0.47) CDK2CCNA2CCNA1TRIM58CDK1
SCHEMBL3332879 0.80 TRIM58 (0.50) CDK2CCNA2CCNA1TRIM58ADORA2A
SCHEMBL3338737 0.80 TRIM58 (0.47) CDK2CCNA2CCNA1TRIM58ADORA2A
SCHEMBL3336876 0.79 ADORA2A (0.46) CDK2HRH1HRH4HRH3KCNH2
SCHEMBL3337046 0.79 TRIM58 (0.47) CDK2CCNA2CCNA1TRIM58KCNH2
SCHEMBL3333188 0.79 CDK2 (0.54) CDK2CCNA2CCNA1TRIM58ADORA2A
SCHEMBL3334508 0.78 TRIM58 (0.48) CDK2CCNA2CCNA1TRIM58HRH4

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-8673929-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives and pharmaceutical compositions useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-03-18 US claimed
US-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-06-10 US claimed
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
US-8673929-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives and pharmaceutical compositions useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-03-18 US disclosed
US-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-06-10 US disclosed
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO 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-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS OPRD1, IFNAR1, NR4A1 CDK2 646/4885CCNA2 1164/4885CCNA1 660/4885

“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.