SCHEMBL3334512

SCHEMBL3334512

CC(=O)Nc1nc(OC2CCCC2)c2cc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.42
NPR1 P16066 2/20 0.39
TRIM58 Q8NG06 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
RIPK1 Q13546 1/20 0.37
GRM5 P41594 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PIK3CA P42336 1/20 0.37
ATM Q13315 1/20 0.36
DHODH Q02127 1/20 0.36
MGLL Q99685 1/20 0.36
MAP4K4 O95819 1/20 0.36
MAPK10 P53779 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
SCHEMBL3334949 0.91 BRAF (0.43) TRIM58ADORA3MAPK10ALDH1A1
SCHEMBL3334990 0.86 PIK3CD (0.50) ADORA3PDE4APDE4BPDE4CPDE4D
SCHEMBL3340764 0.83 CYP1A2 (0.43) ADORA3ADORA2APIK3CADHODHMAP4K4
SCHEMBL3333859 0.82 TRIM58 (0.55) NPR1TRIM58HDAC3HDAC1HDAC2
SCHEMBL5127968 0.81 CNR1 (0.35) TRIM58DHODH
SCHEMBL5129286 0.81 NPR1 (0.35) ABL1NPR1RIPK1ATM
SCHEMBL3334908 0.81 ADORA3 (0.40) ADORA3ADORA2APIK3CADHODHMAP4K4
SCHEMBL3335675 0.81 MAPT (0.41) TRIM58ADORA3ADORA2APIK3CADHODH
SCHEMBL3335301 0.81 PIK3CA (0.41) TRIM58ADORA3ADORA2APIK3CADHODH
SCHEMBL3335966 0.81 ADORA3 (0.40) NPR1ADORA3ADORA2APIK3CADHODH

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 4 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
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

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 ABL1 43/4885NPR1 806/4885TRIM58 1431/4885

“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.