SCHEMBL3336896

SCHEMBL3336896

Nc1nc(OCC2CC2)c2cc(-c3ccc(C(=O)Nc4ccc(F)cc4)cc3)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.46
CTNNB1 P35222 4/20 0.43
TCF7L2 Q9NQB0 4/20 0.43
MCHR1 Q99705 3/20 0.42
HTR2C P28335 2/20 0.42
PTPN6 P29350 1/20 0.42
PTPN11 Q06124 1/20 0.42
TRIM58 Q8NG06 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
MAPT P10636 1/20 0.41
GRM4 Q14833 1/20 0.41
CNR1 P21554 1/20 0.41
MAP4K4 O95819 1/20 0.40
PDE4B Q07343 1/20 0.40
MMP9 P14780 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
SCHEMBL3336747 0.87 PTPN1 (0.49) PTPN1CTNNB1TCF7L2MCHR1PTPN6
SCHEMBL3337714 0.86 TRIM58 (0.49) TRIM58CNR1MAP4K4
SCHEMBL3337337 0.85 TRIM58 (0.48) TRIM58MAP4K4
SCHEMBL3334542 0.84 MEN1 (0.45) TRIM58MAP4K4
SCHEMBL3335859 0.84 TRIM58 (0.47) TRIM58NR1H4CNR1MAP4K4
SCHEMBL3336878 0.83 TRIM58 (0.46) TRIM58CNR1MAP4K4PDE4B
SCHEMBL3336207 0.83 NPC1 (0.51) TRIM58GRM4
SCHEMBL3337208 0.82 CNR2 (0.47) TRIM58CNR1MAP4K4
SCHEMBL3336178 0.82 LMNA (0.44) TRIM58CNR1MAP4K4
SCHEMBL3338737 0.82 TRIM58 (0.47) TRIM58MAP4K4

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 PTPN1 1466/4885CTNNB1 2971/4885TCF7L2 763/4885

“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.