SCHEMBL3333468

SCHEMBL3333468

Nc1nc(OCC2CC2)c2cc(Br)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.44
ADORA2A P29274 1/20 0.41
CCNA2 P20248 6/20 0.40
CCNA1 P78396 6/20 0.40
CDK1 P06493 3/20 0.40
CCNB1 P14635 3/20 0.40
TRIM58 Q8NG06 1/20 0.40
CCNB2 O95067 2/20 0.40
CCNB3 Q8WWL7 2/20 0.40
MAPK3 P27361 1/20 0.40
CLK1 P49759 1/20 0.40
CDK5 Q00535 1/20 0.40
PIN1 Q13526 1/20 0.40
MAP3K5 Q99683 1/20 0.40
HTT P42858 1/20 0.39
PABPC1 P11940 1/20 0.39
MEN1 O00255 1/20 0.39
MTOR P42345 1/20 0.39
KMT2A Q03164 1/20 0.39
ATR Q13535 1/20 0.39

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
SCHEMBL3331706 0.95 CDK2 (0.48) CDK2ADORA2ACCNA2CCNA1CDK1
SCHEMBL3335280 0.82 RXFP1 (0.43) ADORA2AHTTPOLBBCHEACHE
SCHEMBL3337990 0.80 DHFR (0.49) ADORA2AHTTPABPC1MEN1KMT2A
SCHEMBL3337714 0.80 TRIM58 (0.49) CDK2ADORA2ACCNA2CCNA1CDK1
SCHEMBL3336052 0.80 TRIM58 (0.49) CDK2ADORA2ACCNA2CCNA1CDK1
SCHEMBL3338894 0.78 L3MBTL1 (0.43) ADORA2AHTTPABPC1MEN1KMT2A
SCHEMBL3336447 0.78 CYP1B1 (0.50) ADORA2AHTTPABPC1BCHEACHE
SCHEMBL3337708 0.77 TRIM58 (0.49) CDK2ADORA2ACCNA2CCNA1TRIM58
SCHEMBL3337018 0.77 PIK3CD (0.47) TRIM58DHFR
SCHEMBL3336020 0.77 IRAK4 (0.42) ADORA2AHTTPABPC1KMT2APOLB

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 8 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 disclosed
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-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
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
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
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 646/4885ADORA2A 1968/4885CCNA2 1164/4885

“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.