SCHEMBL3335246

SCHEMBL3335246

Nc1nc(OCC2CCC2)c2cc(-c3ccc(F)c(F)c3F)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 6/20 0.41
ALOX5AP P20292 5/20 0.41
CDK2 P24941 10/20 0.41
TRIM58 Q8NG06 1/20 0.40
CCNA2 P20248 8/20 0.38
CCNA1 P78396 6/20 0.38
CDK1 P06493 4/20 0.38
CCNB1 P14635 4/20 0.38
CCNB2 O95067 2/20 0.37
CCNB3 Q8WWL7 2/20 0.37
MAPK3 P27361 1/20 0.37
CLK1 P49759 1/20 0.37
CDK5 Q00535 1/20 0.37
PIN1 Q13526 1/20 0.37
MAP3K5 Q99683 1/20 0.37
MEN1 O00255 1/20 0.36
MTOR P42345 1/20 0.36
KMT2A Q03164 1/20 0.36
ATR Q13535 1/20 0.36
NOS3 P29474 1/20 0.36

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
SCHEMBL3338165 0.91 ALOX5AP (0.43) FEN1ALOX5APCDK2TRIM58CCNA2
SCHEMBL3335335 0.88 FEN1 (0.43) FEN1ALOX5APCDK2TRIM58CCNA2
SCHEMBL3331084 0.84 TRIM58 (0.42) FEN1ALOX5APCDK2TRIM58CCNA2
SCHEMBL3338027 0.84 CDK2 (0.40) FEN1ALOX5APCDK2TRIM58CCNA2
SCHEMBL3338737 0.84 TRIM58 (0.47) CDK2TRIM58CCNA2CCNA1CDK1
SCHEMBL3335522 0.83 CNR1 (0.46) CDK2TRIM58CCNA2CCNA1CDK1
SCHEMBL3336058 0.82 DHFR (0.42) MTORKMT2A
SCHEMBL3333188 0.80 CDK2 (0.54) CDK2TRIM58CCNA2CCNA1CDK1
SCHEMBL3337232 0.80 SQOR (0.38) FEN1ALOX5APMTOR
SCHEMBL3334960 0.79 TRIM58 (0.39) FEN1ALOX5APCDK2TRIM58CCNA2

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 FEN1 4224/4885ALOX5AP 2557/4885CDK2 646/4885

“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.