SCHEMBL3335228

SCHEMBL3335228

Nc1nc(O[C@@H]2CCOC2)c2cc(-c3ccc(C(=O)NCC(F)(F)F)cc3)ccc2n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.38
GRM4 Q14833 2/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MTOR P42345 3/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CG P48736 2/20 0.37
JAK1 P23458 2/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
LIPC P11150 2/20 0.36
ACP1 P24666 1/20 0.36
PTGER4 P35408 1/20 0.36
ULK1 O75385 1/20 0.36
P2RX3 P56373 2/20 0.35
P2RX2 Q9UBL9 2/20 0.35
SYK P43405 1/20 0.35
IP6K1 Q92551 1/20 0.35

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
SCHEMBL3335235 1.00 LIPG (0.38) LIPGGRM4MAPK8MAPK9MTOR
SCHEMBL823687 0.86 MTOR (0.37) LIPGGRM4MAPK8MAPK9MTOR
SCHEMBL826424 0.86 MTOR (0.37) LIPGGRM4MAPK8MAPK9MTOR
SCHEMBL3336650 0.85 MEN1 (0.42) GRM4MAPK8MAPK9
SCHEMBL3336644 0.85 MEN1 (0.42) GRM4MAPK8MAPK9
SCHEMBL3335691 0.85 MELK (0.45) MTORPIK3CAPIK3CGACP1
SCHEMBL3335680 0.85 MELK (0.45) MTORPIK3CAPIK3CGACP1
SCHEMBL3336061 0.84 CD274 (0.54) MTORPIK3CAPIK3CG
SCHEMBL3335087 0.84 PIK3CA (0.54) MTORPIK3CAPIK3CG
SCHEMBL3336059 0.84 CD274 (0.54) MTORPIK3CAPIK3CG

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 LIPG 4469/4885GRM4 1487/4885MAPK8 2490/4885

“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.