SCHEMBL2657337

SCHEMBL2657337

FC(F)(F)c1cc(Br)c2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.54
ADORA1 P30542 1/20 0.54
NT5E P21589 3/20 0.51
TLR7 Q9NYK1 1/20 0.50
ADRB2 P07550 1/20 0.50
BACE1 P56817 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPK1 P28482 1/20 0.45
IGF1R P08069 4/20 0.44
MAPT P10636 3/20 0.43
ELANE P08246 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL30106724 1.00 ADORA2A (0.54) ADORA2AADORA1NT5ETLR7ADRB2
SCHEMBL693661 0.79 NT5E (0.62) ADORA2AADORA1NT5ETLR7ADRB2
SCHEMBL3300391 0.79 BACE1 (0.66) ADORA2AADORA1NT5ETLR7ADRB2
SCHEMBL28311336 0.79 ADORA2A (0.55) ADORA2AADORA1NT5ETLR7ADRB2
SCHEMBL11831263 0.79 NT5E (0.45) ADORA2AADORA1NT5EADRB2BACE1
SCHEMBL9493530 0.79 NT5E (0.53) ADORA2AADORA1NT5EADRB2BACE1
SCHEMBL14469360 0.78 ADORA2A (0.54) ADORA2AADORA1NT5ETLR7ADRB2
SCHEMBL29029738 0.78 BACE1 (0.55) ADORA2AADORA1NT5ETLR7ADRB2
SCHEMBL423741 0.78 CYP1A2 (0.58) ADORA2AADORA1TLR7ADRB2BACE1
SCHEMBL2425904 0.78 ADORA2A (0.54) ADORA2AADORA1NT5ETLR7ADRB2

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119753869-A Shape memory prestress anchor net material and preparation method thereof 中煤科工开采研究院有限公司 2025-04-04 CN claimed
CN-119753869-A Shape memory prestress anchor net material and preparation method thereof 中煤科工开采研究院有限公司 2025-04-04 CN disclosed
CN-115108897-B Preparation method of 4-ethoxy-1, 1-trifluoro-3-butene-2-ketone and derivative thereof 帕潘纳(北京)科技有限公司 2024-06-07 CN disclosed
CN-115108897-A Preparation method of 4-ethoxy-1, 1, 1-trifluoro-3-butene-2-one and derivatives thereof 帕潘纳(北京)科技有限公司 2022-09-27 CN disclosed
US-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-08-27 US disclosed
CN-105377851-B BET bromodomain inhibitors and therapeutic methods using these inhibitors 密执安州立大学董事会 2018-07-20 CN disclosed
CN-108285432-A A kind of preparation method of quinoline 湖南华腾制药有限公司 2018-07-17 CN disclosed
EP-2970312-B1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2017-11-15 EP disclosed
EP-2970312-B1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2017-11-15 EP disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
WO-2004087670-A1 PROCESS FOR SYNTHESIS OF BIS-(SUBSTITUTED 4 QUINOLYL) DISULPHIDES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-10-14 WO disclosed
US-6777553-B1 USING SUBSTITUTED-4-HALOQUINOLINES AND THE SODIUM, POTASSIUM OR AMMONIUM SALTS OF DITHIOCARBAMIC ACID WHICH AVOIDS THE HANDLING OF HAZARDOUS AND CORROSIVE CHLOROSULPHONIC ACID COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2004-08-17 US disclosed
EP-1427408-A2 CYCLIC HYDROXAMIC ACIDS AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$g(a) CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-16 EP disclosed
US-6740649-B2 ANTIINFLAMMATORY AGENTS; OSTEOPOROSIS BRISTOL-MYERS SQUIBB COMPANY 2004-05-25 US disclosed
US-20030139388-A1 Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-07-24 US disclosed
WO-2003024899-A2 CYCLIC HYDROXAMIC ACIDS AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-α CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2003-03-27 WO disclosed
CN-1138458-A Treatment and prevention of prostatic cancer LILLY CO ELI (US) 1996-12-25 CN disclosed
WO-1996035422-A1 METHODS FOR INHIBITING BONE LOSS ELI LILLY AND COMPANY (US) 1996-11-14 WO disclosed
US-4267333-A Preparation of 2-trifluoromethyl cinchoninic acids UNION CARBIDE AGRICULTURAL PRODUCTS COMPANY, INC. (US) 1981-05-12 US disclosed
US-4251661-A Preparation of 2-trifluoromethyl cinchoninic acids UNION CARBIDE CORPORATION (US) 1981-02-17 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 (3 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-20030139388-A1 Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAMTS1, MMP1, ADAM17 ADORA2A 4293/4885ADORA1 2212/4885NT5E 996/4885
US-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same BRD4, BRDT, BRD3 ADORA2A 4633/4885ADORA1 4711/4885NT5E 3798/4885
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 ADORA2A 4633/4885ADORA1 4711/4885NT5E 3798/4885

“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.