SCHEMBL3338041

SCHEMBL3338041

Nc1nc(OCCF)c2cc(-c3ccc(C(=O)N4CCSCC4)cc3)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.40
JAK1 P23458 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ABL1 P00519 3/20 0.38
BCR P11274 3/20 0.38
JAK2 O60674 1/20 0.38
SLC6A7 Q99884 1/20 0.37
GABRA5 P31644 2/20 0.36
EGLN1 Q9GZT9 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
MGLL Q99685 2/20 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
SCHEMBL3331181 0.94 DPP4 (0.37) HPGDJAK1ABL1BCRJAK2
SCHEMBL3336025 0.90 HPGD (0.45) HPGDADORA2A
SCHEMBL5129596 0.90 HPGD (0.35) HPGDJAK1ALDH1A1HSD17B10GABRA5
SCHEMBL3335512 0.89 DPP4 (0.38) HPGDJAK1ABL1BCRJAK2
SCHEMBL3333969 0.89 HPGD (0.43) HPGDJAK1ALDH1A1HSD17B10ABL1
SCHEMBL5140172 0.88 GABRA5 (0.35) HPGDJAK1ALDH1A1HSD17B10GABRA5
SCHEMBL3337282 0.83 MGLL (0.41) HPGDJAK1ALDH1A1HSD17B10ABL1
SCHEMBL3335847 0.83 HPGD (0.43) HPGDJAK1ALDH1A1HSD17B10ABL1
SCHEMBL5131336 0.82 GABRA5 (0.36) HPGDJAK1ALDH1A1HSD17B10GABRA5
SCHEMBL5131563 0.80 CTNNB1 (0.41) ABL1BCRGABRA5ADORA2AADORA1

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 HPGD 3242/4885JAK1 1051/4885ALDH1A1 2902/4885

“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.