SCHEMBL20157762

SCHEMBL20157762

O=c1[nH]c2cnc(OCCOCC(F)(F)F)nc2n1Cc1ccc(CN2CCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
USP1 O94782 16/20 0.46
TLR7 Q9NYK1 3/20 0.44
IL6 P05231 2/20 0.44
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL21351783 0.90 TLR7 (0.46) USP1TLR7IL6ADORA3
SCHEMBL20157768 0.89 TLR7 (0.45) USP1TLR7IL6ADORA3
SCHEMBL20157675 0.88 TLR7 (0.49) USP1TLR7IL6ADORA3
SCHEMBL20157161 0.86 TLR7 (0.46) USP1TLR7IL6ADORA3
SCHEMBL20157433 0.86 TLR7 (0.46) USP1TLR7IL6ADORA3
SCHEMBL20157403 0.85 TLR7 (0.52) USP1TLR7IL6ADORA3
SCHEMBL20157781 0.85 USP1 (0.46) USP1TLR7IL6ADORA3
SCHEMBL21759566 0.85 TLR7 (0.47) USP1TLR7IL6ADORA3
SCHEMBL20157136 0.85 TLR7 (0.51) USP1TLR7IL6ADORA3
SCHEMBL20157576 0.85 TLR7 (0.51) USP1TLR7IL6ADORA3

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 8 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-11084818-B2 Nitrogen-containing heterocyclic compound, preparation method, intermediate, pharmaceutical composition and use HEPO PHARMACEUTICAL CO., LTD. (CN) 2021-08-10 US disclosed
CN-108069969-B Nitrogen-containing heterocyclic compound, preparation method, intermediate, pharmaceutical composition and application 南京海璞医药科技有限公司 2020-09-18 CN 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
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
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 3017/4885TLR7 1/4885IL6 680/4885
US-20200062758-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method, Intermediate, Pharmaceutical Composition and use TLR7, TLR9, NOD1 USP1 2778/4885TLR7 1/4885IL6 812/4885

“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.