SCHEMBL3336747

SCHEMBL3336747

CCOc1nc(N)nc2ccc(-c3ccc(C(=O)Nc4ccc(F)cc4)cc3)cc12

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.49
CTNNB1 P35222 5/20 0.47
TCF7L2 Q9NQB0 5/20 0.47
MCHR1 Q99705 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
PTPN6 P29350 1/20 0.45
PTPN11 Q06124 1/20 0.45
MMP9 P14780 1/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL5131563 0.89 CTNNB1 (0.41) PTPN1CTNNB1TCF7L2MCHR1MAPT
SCHEMBL3336316 0.87 PTPN1 (0.50) PTPN1CTNNB1TCF7L2MCHR1SMN1; SMN2
SCHEMBL3336896 0.87 PTPN1 (0.46) PTPN1CTNNB1TCF7L2MCHR1PTPN6
SCHEMBL3337583 0.85 MAP4K4 (0.47) RAB9ANPC1
SCHEMBL3335192 0.84 TTK (0.47) SMN1; SMN2MAPTGAA
SCHEMBL3338030 0.84 PLK1 (0.46) MCHR1SMN1; SMN2TP53MMP9MAPT
SCHEMBL823664 0.83 PTPN1 (0.52) PTPN1MCHR1SMN1; SMN2TP53RAB9A
SCHEMBL3336819 0.83 DHFR (0.39) MCHR1MMP9
SCHEMBL3340058 0.83 IP6K1 (0.45) RAB9ANPC1
SCHEMBL3337673 0.82 JAK2 (0.51) MCHR1MMP9MAPT

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 2 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

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.