SCHEMBL2599263

SCHEMBL2599263

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
DRD3 P35462 1/20 0.46
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
CASP3 P42574 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
GLS O94925 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
MAOB P27338 2/20 0.42
MAPK1 P28482 1/20 0.42
ELANE P08246 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
SCHEMBL2599260 1.00 ALDH1A1 (0.47) ALDH1A1DRD3KMT2AMAPTCASP3
SCHEMBL14318320 1.00 ALDH1A1 (0.47) ALDH1A1DRD3KMT2AMAPTCASP3
SCHEMBL9340887 0.88 ALDH1A1 (0.53) ALDH1A1DRD3KMT2ACASP3CA12
SCHEMBL4580570 0.86 ALDH1A1 (0.45) ALDH1A1DRD3KMT2AMAPTCASP3
SCHEMBL14928649 0.83 ALDH1A1 (0.49) ALDH1A1DRD3KMT2ACASP3CA12
SCHEMBL14393320 0.83 ALDH1A1 (0.49) ALDH1A1DRD3KMT2ACASP3CA12
SCHEMBL14928796 0.83 ALDH1A1 (0.49) ALDH1A1DRD3KMT2ACASP3CA12
SCHEMBL7296253 0.83 ALDH1A1 (0.49) ALDH1A1DRD3KMT2ACASP3CA12
SCHEMBL4579022 0.83 ALDH1A1 (0.43) ALDH1A1DRD3KMT2AMAPTMAOB
SCHEMBL11024056 0.82 ALDH1A1 (0.52) ALDH1A1MAPTCASP3GLSMAOB

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 48 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
EP-3205654-B1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2019-01-02 EP 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
US-5587469-A USEFUL AS ?ANTISENSE AGENTS? THAT ARE CAPABLE OF SPECIFIC HYBRIDIZATION WITH A NUCLEOTIDE SEQUENCE OF AN RNA ISIS PHARMACEUTICALS, INC. (US) 1996-12-24 US disclosed
EP-0742790-A1 SUBSTITUTED PURINES AND OLIGONUCLEOTIDE CROSS-LINKING ISIS PHARMACEUTICALS, INC. (US) 1996-11-20 EP disclosed
EP-0731807-A1 N-2 SUBSTITUTED PURINES ISIS PHARMACEUTICALS, INC. (US) 1996-09-18 EP disclosed
US-5543507-A BONDING STRANDS OR ONE STRAND AT DIFFERENT SITES; RNA MIMICS FIXED IN SPATIAL CONFORMATION; NUCLEASE RESISTANT MIMICS OF BINDING RECEPTORS FOR NUCLEIC ACID-BINDING PROTEINS; 5-LIPOXYGENASE INHIBITORS; DIAGNOSIS; ANALYZING ISIS PHARMACEUTICALS, INC. (US) 1996-08-06 US disclosed
EP-0635023-A4 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES. ISIS PHARMACEUTICALS INC (US) 1996-03-20 EP disclosed
US-5459255-A For incorporation into oligonucleotides, cleaving RNA site specifically ISIS PHARMACEUTICALS, INC. (US) 1995-10-17 US disclosed
WO-1995021184-A1 SUBSTITUTED PURINES AND OLIGONUCLEOTIDE CROSS-LINKING ISIS PHARMACEUTICALS, INC. (US) 1995-08-10 WO disclosed
WO-1995014707-A1 N-2 SUBSTITUTED PURINES ISIS PHARMACEUTICALS, INC. (US) 1995-06-01 WO disclosed
EP-0635023-A1 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1995-01-25 EP disclosed
WO-1993018052-A1 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1993-09-16 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 (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 ALDH1A1 4546/4885DRD3 1073/4885KMT2A 809/4885
US-20190031684-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 ALDH1A1 4492/4885DRD3 2377/4885KMT2A 844/4885
US-20170283435-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 ALDH1A1 4546/4885DRD3 1073/4885KMT2A 809/4885
US-10647730-B2 Macrocyclic compounds as TRK kinase inhibitors MAP3K20, MAP3K1, MAP3K3 ALDH1A1 4492/4885DRD3 2377/4885KMT2A 844/4885

“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.