SCHEMBL3333188

SCHEMBL3333188

Cc1ccccc1-c1ccc2nc(N)nc(OCC3CCC3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.54
CCNA2 P20248 7/20 0.54
CDK1 P06493 3/20 0.54
CCNB1 P14635 3/20 0.54
LCK P06239 1/20 0.48
KDR P35968 1/20 0.48
JAK3 P52333 1/20 0.48
MAPK14 Q16539 1/20 0.48
TRIM58 Q8NG06 1/20 0.47
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
BACE1 P56817 5/20 0.42

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
SCHEMBL3332879 0.84 TRIM58 (0.50) CDK2CCNA2CDK1CCNB1TRIM58
SCHEMBL3338165 0.83 ALOX5AP (0.43) CDK2CCNA2CDK1CCNB1TRIM58
SCHEMBL3337015 0.80 TRIM58 (0.47) CDK2CCNA2CDK1CCNB1TRIM58
SCHEMBL3338737 0.80 TRIM58 (0.47) CDK2CCNA2CDK1CCNB1TRIM58
SCHEMBL3335246 0.80 FEN1 (0.41) CDK2CCNA2CDK1CCNB1TRIM58
SCHEMBL3335522 0.80 CNR1 (0.46) CDK2CCNA2CDK1CCNB1TRIM58
SCHEMBL3335335 0.80 FEN1 (0.43) CDK2CCNA2CDK1CCNB1TRIM58
SCHEMBL3332960 0.80 TRIM58 (0.48) CDK2CCNA2CDK1CCNB1TRIM58
SCHEMBL3334070 0.79 CDK2 (0.59) CDK2CCNA2CDK1CCNB1TRIM58
SCHEMBL3337046 0.79 TRIM58 (0.47) CDK2CCNA2TRIM58USP2LMNA

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 1164/4885CDK1 1272/4885

“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.