SCHEMBL3333859

SCHEMBL3333859

CC(=O)Nc1nc(OCC2CC2)c2cc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRIM58 Q8NG06 1/20 0.55
CNR1 P21554 1/20 0.42
MAPK10 P53779 2/20 0.40
MAPK14 Q16539 2/20 0.40
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC3 O15379 3/20 0.39
MGLL Q99685 1/20 0.39
ACACB O00763 3/20 0.39
HTR2A P28223 1/20 0.39
KCNH2 Q12809 1/20 0.39
HTR4 Q13639 1/20 0.39
NPR1 P16066 1/20 0.38
LRRK2 Q5S007 1/20 0.38
VCP P55072 1/20 0.38
MAP4K4 O95819 2/20 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
SCHEMBL3337025 0.91 TRIM58 (0.56) TRIM58MAPK10HTR2AKCNH2HTR4
SCHEMBL3335675 0.86 MAPT (0.41) TRIM58MAP4K4
SCHEMBL3337880 0.86 TRIM58 (0.51) TRIM58
SCHEMBL3335706 0.84 NAMPT (0.42) TRIM58MAPK14MAP4K4
SCHEMBL3334852 0.83 MAPK14 (0.41) TRIM58MAPK10MAPK14MAP4K4
SCHEMBL3336253 0.83 PTGS1 (0.42) TRIM58MAP4K4
SCHEMBL3341530 0.83 PIK3CA (0.44) TRIM58MAP4K4
SCHEMBL3340764 0.82 CYP1A2 (0.43) MAP4K4
SCHEMBL3334512 0.82 ABL1 (0.42) TRIM58MAPK10MAPK14HDAC1HDAC2
SCHEMBL3334534 0.82 DHODH (0.48) TRIM58MGLL

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 TRIM58 1431/4885CNR1 62/4885MAPK10 2778/4885

“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.