SCHEMBL3336024

SCHEMBL3336024

CCOc1nc(NCc2ccc(F)cc2)nc2ccc(Br)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.48
ERBB2 P04626 2/20 0.48
USP10 Q14694 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.43
USP13 Q92995 1/20 0.43
NTRK1 P04629 4/20 0.43
GRK6 P43250 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
APP P05067 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GPR35 Q9HC97 1/20 0.42
CTNNB1 P35222 1/20 0.41
TCF7L2 Q9NQB0 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL3335353 0.87 EGFR (0.46) EGFRERBB2USP10PIK3C3USP13
SCHEMBL3335660 0.84 CA1 (0.58) MEN1KMT2A
SCHEMBL3871867 0.80 TRIM58 (0.44) HTTSMN1; SMN2KMT2AKDM4EATM
SCHEMBL3337810 0.79 APP (0.47) USP10PIK3C3USP13NTRK1GRK6
SCHEMBL3333982 0.78 CA1 (0.54)
SCHEMBL3334087 0.77 NTRK1 (0.41) EGFRUSP10PIK3C3USP13NTRK1
SCHEMBL3334084 0.77 NTRK1 (0.41) EGFRUSP10PIK3C3USP13NTRK1
SCHEMBL4794362 0.77 NTRK1 (0.44) USP10PIK3C3USP13NTRK1GRK6
SCHEMBL14131722 0.75 EGFR (0.41) EGFRERBB2USP10PIK3C3USP13
SCHEMBL4351514 0.75 CTNNB1 (0.46) USP10PIK3C3USP13NTRK1GRK6

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 3 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-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 EGFR 1483/4885ERBB2 907/4885USP10 3067/4885

“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.