SCHEMBL2586644

SCHEMBL2586644

O=C1Cc2ccccc2C(=O)N1Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 1.00
MEN1 O00255 6/20 1.00
APAF1 O14727 3/20 1.00
ALDH1A1 P00352 3/20 1.00
MAPT P10636 3/20 1.00
HPGD P15428 1/20 1.00
CASP6 P55212 2/20 0.76
GAA P10253 4/20 0.72
BLM P54132 2/20 0.72
CASP1 P29466 1/20 0.72
RAB9A P51151 1/20 0.72
CASP7 P55210 1/20 0.72
HSD17B10 Q99714 1/20 0.72
CASP3 P42574 2/20 0.72
SENP8 Q96LD8 1/20 0.72
SENP7 Q9BQF6 1/20 0.72
SENP6 Q9GZR1 1/20 0.72
ACHE P22303 1/20 0.62
RNASEH1 O60930 1/20 0.57
PKM P14618 1/20 0.54

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
SCHEMBL29609544 1.00 KMT2A (1.00) KMT2AMEN1APAF1ALDH1A1MAPT
SCHEMBL2580937 0.84 KMT2A (1.00) KMT2AMEN1APAF1ALDH1A1MAPT
SCHEMBL2591104 0.84 KMT2A (1.00) KMT2AMEN1APAF1ALDH1A1MAPT
SCHEMBL8566878 0.83 KMT2A (0.71) KMT2AMEN1APAF1ALDH1A1MAPT
SCHEMBL578257 0.79 POLB (0.73) KMT2AMEN1APAF1ALDH1A1MAPT
SCHEMBL30597487 0.79 POLB (0.73) KMT2AMEN1APAF1ALDH1A1MAPT
SCHEMBL11854588 0.79 KMT2A (0.66) KMT2AMEN1APAF1ALDH1A1MAPT
SCHEMBL24811059 0.79 KMT2A (0.70) KMT2AMEN1APAF1ALDH1A1MAPT
SCHEMBL31395586 0.79 KMT2A (0.70) KMT2AMEN1APAF1ALDH1A1MAPT
SCHEMBL9394437 0.79 KMT2A (0.65) KMT2AMEN1APAF1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024346-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2024-01-25 US disclosed
US-20240024346-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2024-01-25 US disclosed
US-20240024346-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2024-01-25 US disclosed
US-20230295213-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2023-09-21 US disclosed
US-20230295213-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2023-09-21 US disclosed
US-20230295213-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2023-09-21 US disclosed
CN-116546990-A CD73 inhibitor and pharmaceutical application thereof 润佳(苏州)医药科技有限公司 2023-08-04 CN disclosed
WO-2022109741-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2022-06-02 WO disclosed
CN-114539340-A CD73 inhibitor and pharmaceutical application thereof 润佳(苏州)医药科技有限公司 2022-05-27 CN disclosed
US-20210220331-A1 INHIBITORS OF IRES-MEDIATED PROTEIN SYNTHESIS THE UNITED STATES GOVERNMENT REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2021-07-22 US disclosed
EP-3452447-A1 INHIBITORS OF IRES-MEDIATED PROTEIN SYNTHESIS The Regents of The University of California (US) 2019-03-13 EP disclosed
WO-2017192665-A1 INHIBITORS OF IRES-MEDIATED PROTEIN SYNTHESIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-09 WO disclosed
US-20170202810-A1 SMALL MOLECULE INHIBITORS OF USP1 DEUBIQUITINATING ENZYME ACTIVITY DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-07-20 US disclosed
US-9518032-B2 Small molecule inhibitors of USP1 deubiquitinating enzyme activity DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-12-13 US disclosed
US-20130253005-A1 SMALL MOLECULE INHIBITORS OF USP1 DEUBIQUITINATING ENZYME ACTIVITY THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2013-09-26 US disclosed
WO-2011137320-A2 SMALL MOLECULE INHIBITORS OF USP1 DEUBIQUITINATING ENZYME ACTIVITY DANA-FARBER CANCER INSTITUTE, INC. (US) 2011-11-03 WO disclosed
EP-0674625-B1 AMINO-SUBSTITUTED PYRAZOLES HAVING CRF ANTAGONISTIC ACTIVITY PFIZER (US) 1997-12-10 EP disclosed
US-5668145-A Amino-substituted pyrazoles having CRF antagonistic activity PFIZER INC. (US) 1997-09-16 US disclosed
EP-0674625-A1 AMINO-SUBSTITUTED PYRAZOLES HAVING CRF ANTAGONISTIC ACTIVITY PFIZER INC. (US) 1995-10-04 EP disclosed
WO-1994013644-A1 AMINO-SUBSTITUTED PYRAZOLES HAVING CRF ANTAGONISTIC ACTIVITY PFIZER INC. (US) 1994-06-23 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 (5 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-20130253005-A1 SMALL MOLECULE INHIBITORS OF USP1 DEUBIQUITINATING ENZYME ACTIVITY USP1, USP2, USP28 KMT2A 639/4885MEN1 2034/4885APAF1 492/4885
US-20230295213-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF ENTPD5, NT5E, ENTPD1 KMT2A 2779/4885MEN1 1633/4885APAF1 1364/4885
US-20240024346-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF ENTPD5, NT5E, ENTPD1 KMT2A 2779/4885MEN1 1633/4885APAF1 1364/4885
US-20210220331-A1 INHIBITORS OF IRES-MEDIATED PROTEIN SYNTHESIS EIF4EBP1, EIF4E, EIF2A KMT2A 2931/4885MEN1 2048/4885APAF1 1651/4885
US-20170202810-A1 SMALL MOLECULE INHIBITORS OF USP1 DEUBIQUITINATING ENZYME ACTIVITY USP1, USP2, USP28 KMT2A 639/4885MEN1 2034/4885APAF1 492/4885

“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.