SCHEMBL6589074

SCHEMBL6589074

O=C1c2ccccc2C(=O)N1Cc1cccc(CBr)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.60
CASP3 P42574 2/20 0.57
NPSR1 Q6W5P4 1/20 0.54
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1B1 Q16678 1/20 0.50
MEN1 O00255 4/20 0.49
HPGD P15428 3/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 2/20 0.49
HTT P42858 2/20 0.48
PABPC1 P11940 1/20 0.48
ALOX15 P16050 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CASP6 P55212 1/20 0.47

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
SCHEMBL30595128 1.00 KMT2A (0.60) KMT2ACASP3NPSR1PKMTSHR
SCHEMBL2258501 0.91 KMT2A (0.70) KMT2ACASP3NPSR1PKMTSHR
SCHEMBL8816529 0.89 CASP3 (0.56) KMT2ACASP3NPSR1PKMTSHR
SCHEMBL3238951 0.84 CASP3 (0.62) KMT2ACASP3NPSR1PKMTSHR
SCHEMBL10488508 0.83 CASP3 (0.59) KMT2ACASP3SMN1; SMN2CYP1B1MAPT
SCHEMBL17029125 0.83 CASP3 (0.66) KMT2ACASP3NPSR1PKMTSHR
SCHEMBL8358791 0.83 CASP3 (0.62) KMT2ACASP3NPSR1PKMTSHR
SCHEMBL1200935 0.83 KMT2A (0.65) KMT2ACASP3NPSR1PKMTSHR
SCHEMBL29425579 0.83 KMT2A (0.60) KMT2ACASP3NPSR1PKMTSHR
SCHEMBL7101624 0.83 KMT2A (0.60) KMT2ACASP3NPSR1PKMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11957680-B2 Pyruvate kinase activators for use in treating blood disorders AGIOS PHARMACEUTICALS, INC. (US) 2024-04-16 US disclosed
US-11872225-B2 Pyruvate kinase modulators and use thereof AGIOS PHARMACEUTICALS, INC. (US) 2024-01-16 US disclosed
US-11872225-B2 Pyruvate kinase modulators and use thereof AGIOS PHARMACEUTICALS, INC. (US) 2024-01-16 US disclosed
US-11872225-B2 Pyruvate kinase modulators and use thereof AGIOS PHARMACEUTICALS, INC. (US) 2024-01-16 US disclosed
EP-3668881-B1 PYRUVATE KINASE ACTIVATORS FOR USE IN TREATING BLOOD DISORDERS AGIOS PHARMACEUTICALS INC (US) 2023-10-04 EP disclosed
CN-111032046-B Pyruvate kinase modulators and uses thereof 安吉奥斯医药品有限公司 2023-09-26 CN disclosed
EP-3668512-B1 PYRUVATE KINASE MODULATORS AND USE THEREOF AGIOS PHARMACEUTICALS INC (US) 2023-02-15 EP disclosed
EP-3668512-B1 PYRUVATE KINASE MODULATORS AND USE THEREOF AGIOS PHARMACEUTICALS INC (US) 2023-02-15 EP disclosed
US-20220395503-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN TREATING BLOOD DISORDERS AGIOS PHARMACEUTICALS, INC. 2022-12-15 US disclosed
US-11464775-B2 Pyruvate kinase modulators and use thereof AGIOS PHARMACEUTICALS, INC. (US) 2022-10-11 US disclosed
US-6153641-A Pharmaceutically active compounds ASTRA AKTIEBOLAG (SE) 2000-11-28 US disclosed
EP-1042317-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2000-10-11 EP disclosed
WO-2000002877-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-01-20 WO disclosed
WO-1999032483-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 1999-07-01 WO disclosed
EP-0925296-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS Astra Aktiebolag (SE) 1999-06-30 EP disclosed
WO-1998011102-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRA AKTIEBOLAG (SE) 1998-03-19 WO disclosed
US-5439932-A Anticholesterol agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 US disclosed
US-5306728-A Substituted amine derivatives having antihyperlipemia activity BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 US disclosed
EP-0448078-A2 Substituted amine derivatives having anti-hyperlipemia activity BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-09-25 EP disclosed
US-4598077-A Amidine derivatives and cardiotonic compositions TORII & CO. LTD. (JP) 1986-07-01 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 (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-11872225-B2 Pyruvate kinase modulators and use thereof PDK1, PDK2, PDK4 KMT2A 701/4885CASP3 3845/4885NPSR1 3584/4885
US-20220395503-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN TREATING BLOOD DISORDERS PDK1, PDK2, PDK3 KMT2A 578/4885CASP3 3784/4885NPSR1 3219/4885
US-11464775-B2 Pyruvate kinase modulators and use thereof PDK1, PDK2, PDK4 KMT2A 701/4885CASP3 3845/4885NPSR1 3584/4885
US-11957680-B2 Pyruvate kinase activators for use in treating blood disorders PDK1, PDK2, PDK3 KMT2A 578/4885CASP3 3784/4885NPSR1 3219/4885

“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.