SCHEMBL2599276

SCHEMBL2599276

CC(C)(CBr)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.56
DRD3 P35462 1/20 0.46
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL9625482 0.88 CHRM2 (0.63) CHRM2ALDH1A1MEN1CYP1A2CYP2C19
SCHEMBL469610 0.84 CHRM2 (0.55) CHRM2ALDH1A1MEN1CYP1A2CYP2C19
SCHEMBL799700 0.83 CHRM2 (0.58) CHRM2DRD3ALDH1A1MEN1CYP1A2
SCHEMBL3727196 0.81 CHRM2 (0.56) CHRM2ALDH1A1
SCHEMBL5962347 0.80 CHRM2 (0.54) CHRM2ALDH1A1MEN1CYP1A2CYP2C19
SCHEMBL19228128 0.80 CHRM2 (0.55) CHRM2DRD3ALDH1A1
SCHEMBL4580822 0.79 DRD3 (0.47) CHRM2DRD3ALDH1A1MEN1CYP1A2
SCHEMBL14480981 0.79 CHRM2 (0.54) CHRM2ALDH1A1
SCHEMBL7260725 0.79 CHRM2 (0.54) CHRM2ALDH1A1
SCHEMBL14481161 0.79 CHRM2 (0.54) CHRM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003209-B Macrocyclic compounds as TRK kinase inhibitors 阵列生物制药公司 2022-01-25 CN disclosed
US-20200291026-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. 2020-09-17 US disclosed
US-10647730-B2 Macrocyclic compounds as TRK kinase inhibitors ARRAY BIOPHARMA INC. (US) 2020-05-12 US disclosed
EP-3521291-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2019-08-07 EP disclosed
US-20190031684-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. 2019-01-31 US disclosed
WO-2018114777-A1 NITROGEN-CONTAINING BIOPOLYMER-BASED CATALYSTS, THEIR PREPARATION AND USES IN HYDROGENATION PROCESSES, REDUCTIVE DEHALOGENATION AND OXIDATION F. HOFFMANN-LA ROCHE AG (CH) 2018-06-28 WO disclosed
US-9902741-B2 Macrocyclic compounds as TRK kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-02-27 US disclosed
US-9840519-B2 Macrocyclic compounds as TRK kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2017-12-12 US disclosed
US-20170283435-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-10-05 US disclosed
US-9750744-B2 Macrocyclic compounds as Trk kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2017-09-05 US disclosed
EP-2571883-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2013-03-27 EP disclosed
WO-2011146336-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-11-24 WO disclosed
US-5767121-A ANTIINFLAMMATORY AND -ARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; ADHESION PROTEIN EXPRESSION AND CYCLOXYGENASE AND 5-LIPOXYGENASE INHIBITORS; IMMUNOSUPPRESSANTS AND -MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-16 US disclosed
EP-0612729-B1 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-04-23 EP disclosed
US-5561147-A ANTIINFLAMMATORY AGENT, ANTIPYRETIC, ANALGESICS, ANTIALLERGENS, IMMUNOSUPPRESSANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-01 US disclosed
US-5457106-A Antiinflammatory agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-10 US disclosed
US-5389658-A Administering as antipyretic, antiinflammatory, analgesic, antiallergic, or immunosupressive agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0612729-A2 Pyridine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1994-08-31 EP disclosed
US-5246948-A Antiinflammatory, antipyretic, analgesic, antiallergic, immunosupressing or immunomodulating activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-21 US disclosed
EP-0522606-A2 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-13 EP 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 (4 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-20200291026-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 CHRM2 1627/4885DRD3 1073/4885ALDH1A1 4546/4885
US-20190031684-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 CHRM2 1918/4885DRD3 2377/4885ALDH1A1 4492/4885
US-20170283435-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 CHRM2 1627/4885DRD3 1073/4885ALDH1A1 4546/4885
US-10647730-B2 Macrocyclic compounds as TRK kinase inhibitors MAP3K20, MAP3K1, MAP3K3 CHRM2 1918/4885DRD3 2377/4885ALDH1A1 4492/4885

“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.