SCHEMBL3334963

SCHEMBL3334963

CC(C)Oc1nc(N)nc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.41
ACP1 P24666 1/20 0.40
NT5E P21589 1/20 0.39
CDK2 P24941 2/20 0.39
CCNT1 O60563 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK9 P50750 1/20 0.39
CHRNA7 P36544 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SCN9A Q15858 2/20 0.38
SCN5A Q14524 2/20 0.38
GMNN O75496 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL3338126 0.84 MAP4K4 (0.43) DHFRCDK2CCNA2SCN9ACYP1A2
SCHEMBL3333937 0.83 DHFR (0.48) DHFRCDK2CCNA2CCNE2CCNE1
SCHEMBL3333131 0.82 HSP90AB1 (0.47) DHFRCDK2CCNA2ADORA3
SCHEMBL3337214 0.81 ATM (0.53) DHFRCDK2CCNA2NPC1RAB9A
SCHEMBL3332604 0.81 AAK1 (0.44) DHFR
SCHEMBL3336166 0.81 ATM (0.39) DHFRCDK2CCNA2CCNE2CCNE1
SCHEMBL3335845 0.80 ALOX5AP (0.40) DHFRCDK2CCNA2
SCHEMBL3334043 0.80 MAP4K4 (0.45) DHFRCDK2CCNA2SCN9A
SCHEMBL3331691 0.80 ADORA2A (0.43) CDK2CYP1A2CYP3A4GAACYP2C9
SCHEMBL3340367 0.78 MAP4K4 (0.47) DHFRSCN10A

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 DHFR 703/4885ACP1 4551/4885NT5E 984/4885

“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.