SCHEMBL3333349

SCHEMBL3333349

CC(C)Oc1nc(N)nc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.53
LRRK2 Q5S007 2/20 0.45
ERN1 O75460 1/20 0.44
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
HPGD P15428 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
LIPC P11150 4/20 0.43
LIPG Q9Y5X9 2/20 0.43
CSF1R P07333 1/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
CHEK1 O14757 1/20 0.42
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42

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
SCHEMBL5132766 0.94 HSD17B10 (0.49) JAK2LRRK2ERN1TLR8TLR7
SCHEMBL3338474 0.90 HPGD (0.44) TLR8TLR7HPGDCSF1RMEN1
SCHEMBL3335847 0.88 HPGD (0.43) JAK2HPGDMEN1KMT2A
SCHEMBL4355847 0.80 JAK2 (0.56) JAK2ERN1TLR8TLR7HPGD
SCHEMBL3336523 0.78 IP6K1 (0.47) ATMRXFP1
SCHEMBL3336495 0.78 MKNK1 (0.42) HPGDMEN1KMT2AATMPIK3CA
SCHEMBL3338819 0.78 CYP3A4 (0.47) LRRK2ERN1HPGDMEN1KMT2A
SCHEMBL3336047 0.77 RXRA (0.38) JAK2ATM
SCHEMBL3335650 0.77 HPGD (0.50) TLR8TLR7HPGDHRH3CSF1R
SCHEMBL5129519 0.76 MGLL (0.40) LRRK2TLR8TLR7HPGDCSF1R

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 JAK2 1107/4885LRRK2 3408/4885ERN1 2968/4885

“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.