SCHEMBL3335522

SCHEMBL3335522

Nc1nc(OCC2CCC2)c2cc(-c3ccc(Cl)cc3Cl)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.46
CDK2 P24941 8/20 0.41
CCNA2 P20248 7/20 0.41
CNR2 P34972 1/20 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
HSP90AB1 P08238 1/20 0.40
CCNB2 O95067 2/20 0.39
CCNB3 Q8WWL7 2/20 0.39
MAPK3 P27361 1/20 0.39
CLK1 P49759 1/20 0.39
CDK5 Q00535 1/20 0.39
PIN1 Q13526 1/20 0.39
MAP3K5 Q99683 1/20 0.39
TRPV1 Q8NER1 1/20 0.36
BACE1 P56817 1/20 0.36
MEN1 O00255 1/20 0.36
MTOR P42345 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
SCHEMBL3338027 0.90 CDK2 (0.40) CNR1CDK2CCNA2CCNA1CDK1
SCHEMBL3334960 0.87 TRIM58 (0.39) CNR1CDK2CCNA2CNR2CCNA1
SCHEMBL3331084 0.84 TRIM58 (0.42) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL3335246 0.83 FEN1 (0.41) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL3335335 0.81 FEN1 (0.43) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL3333188 0.80 CDK2 (0.54) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL3332879 0.79 TRIM58 (0.50) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL3338737 0.79 TRIM58 (0.47) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL3337015 0.79 TRIM58 (0.47) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL3338165 0.78 ALOX5AP (0.43) CDK2CCNA2CCNA1CDK1CCNB1

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 CNR1 62/4885CDK2 646/4885CCNA2 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.