SCHEMBL20157335

SCHEMBL20157335

O=c1[nH]c2cnc(OCCOC(F)(F)F)nc2n1Cc1ccc(CN2CC=CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
USP1 O94782 18/20 0.42
ADORA3 P0DMS8 1/20 0.40
NUDT1 P36639 1/20 0.39
TLR7 Q9NYK1 1/20 0.39

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
SCHEMBL20157768 0.90 TLR7 (0.45) USP1ADORA3TLR7
SCHEMBL21351784 0.87 TLR7 (0.52) USP1ADORA3NUDT1TLR7
SCHEMBL20157161 0.86 TLR7 (0.46) USP1ADORA3TLR7
SCHEMBL20157433 0.86 TLR7 (0.46) USP1ADORA3TLR7
SCHEMBL20157644 0.85 USP1 (0.45) USP1ADORA3NUDT1TLR7
SCHEMBL20157159 0.85 USP1 (0.52) USP1ADORA3
SCHEMBL20157801 0.84 USP1 (0.46) USP1ADORA3TLR7
SCHEMBL21351783 0.80 TLR7 (0.46) USP1ADORA3TLR7
SCHEMBL20157762 0.79 USP1 (0.46) USP1ADORA3TLR7
SCHEMBL20157637 0.79 USP1 (0.40) USP1ADORA3NUDT1TLR7

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-11084818-B2 Nitrogen-containing heterocyclic compound, preparation method, intermediate, pharmaceutical composition and use HEPO PHARMACEUTICAL CO., LTD. (CN) 2021-08-10 US disclosed
US-20200062758-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method, Intermediate, Pharmaceutical Composition and use HEPO PHARMACEUTICAL CO., LTD. (CN) 2020-02-27 US disclosed
EP-3539963-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE Livo (Shanghai) Pharmaceutical Co., Ltd (CN) 2019-09-18 EP disclosed
WO-2018086593-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE 礼沃(上海)医药科技有限公司 2018-05-17 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 (2 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-11084818-B2 Nitrogen-containing heterocyclic compound, preparation method, intermediate, pharmaceutical composition and use TLR7, TLR9, TLR4 USP1 3017/4885ADORA3 372/4885NUDT1 15/4885
US-20200062758-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method, Intermediate, Pharmaceutical Composition and use TLR7, TLR9, NOD1 USP1 2778/4885ADORA3 116/4885NUDT1 19/4885

“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.