SCHEMBL3335847

SCHEMBL3335847

CC(C)Oc1nc(N)nc2ccc(-c3ccc(C(=O)N4CCSCC4)cc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.43
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
JAK1 P23458 1/20 0.39
ABL1 P00519 4/20 0.39
BCR P11274 4/20 0.39
JAK2 O60674 1/20 0.39
ADORA2A P29274 3/20 0.38
ADORA1 P30542 3/20 0.38
MAPT P10636 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL3338474 0.90 HPGD (0.44) HPGDALDH1A1MEN1KMT2A
SCHEMBL3333349 0.88 JAK2 (0.53) HPGDJAK2MEN1KMT2A
SCHEMBL3333969 0.86 HPGD (0.43) HPGDALDH1A1HSD17B10JAK1ABL1
SCHEMBL5132766 0.85 HSD17B10 (0.49) HPGDALDH1A1HSD17B10JAK1JAK2
SCHEMBL3338041 0.83 HPGD (0.40) HPGDALDH1A1HSD17B10JAK1ABL1
SCHEMBL3337282 0.81 MGLL (0.41) HPGDALDH1A1HSD17B10JAK1ABL1
SCHEMBL3338819 0.80 CYP3A4 (0.47) HPGDALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3335512 0.79 DPP4 (0.38) HPGDJAK1ABL1BCRJAK2
SCHEMBL5131563 0.78 CTNNB1 (0.41) ABL1BCRADORA2AADORA1MAPT
SCHEMBL3336495 0.78 MKNK1 (0.42) HPGDALDH1A1MAPTMEN1KMT2A

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 HPGD 3242/4885ALDH1A1 2902/4885HSD17B10 2627/4885

“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.