SCHEMBL16014396

SCHEMBL16014396

COc1ccc(Cn2ncc3c(Cl)cc(Cl)nc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 11/20 0.52
PDE1A P54750 3/20 0.50
PDE1B Q01064 3/20 0.50
PDE1C Q14123 3/20 0.50
MCHR1 Q99705 1/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CNR2 P34972 3/20 0.47
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PKM P14618 1/20 0.43
PKLR P30613 1/20 0.43

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
SCHEMBL30468608 1.00 NPBWR1 (0.52) NPBWR1PDE1APDE1BPDE1CMCHR1
SCHEMBL30667947 0.88 PDE1A (0.48) NPBWR1PDE1APDE1BPDE1CMCHR1
SCHEMBL1943995 0.80 LMNA (0.54) NPBWR1PDE1APDE1BPDE1CMCHR1
SCHEMBL30731296 0.80 NPBWR1 (0.52) NPBWR1PDE1APDE1BPDE1CMCHR1
SCHEMBL15545682 0.80 NPBWR1 (0.52) NPBWR1PDE1APDE1BPDE1CMCHR1
SCHEMBL16014472 0.79 PDE1A (0.50) NPBWR1PDE1APDE1BPDE1CMCHR1
SCHEMBL10195525 0.78 HSP90AA1 (0.60) NPBWR1PDE1APDE1BPDE1CMCHR1
SCHEMBL16014436 0.78 PDE1A (0.51) NPBWR1PDE1APDE1BPDE1CMCHR1
SCHEMBL19953369 0.77 PDE1A (0.50) NPBWR1PDE1APDE1BPDE1CMCHR1
SCHEMBL29514413 0.77 PDE1B (0.50) NPBWR1PDE1APDE1BPDE1CMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3964518-B1 CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ABBISKO THERAPEUTICS CO LTD (CN) 2026-01-28 EP disclosed
EP-4272836-A2 CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-11-08 EP disclosed
EP-4272836-A2 CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-11-08 EP disclosed
CN-116715700-A CD73 inhibitor, preparation method and application thereof 上海和誉生物医药科技有限公司 2023-09-08 CN disclosed
EP-3399984-B1 MODULATORS OF 5'-NUCLEOTIDASE, ECTO AND THE USE THEREOF ARCUS BIOSCIENCES INC (US) 2023-09-06 EP disclosed
CN-113366008-B CD73 inhibitor, preparation method and application thereof 上海和誉生物医药科技有限公司 2023-06-23 CN disclosed
US-11667662-B2 Modulators of 5′-nucleotidase, ecto and the use thereof ARCUS BIOSCIENCES, INC. (US) 2023-06-06 US disclosed
US-11667662-B2 Modulators of 5′-nucleotidase, ecto and the use thereof ARCUS BIOSCIENCES, INC. (US) 2023-06-06 US disclosed
US-20220162253-A1 CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2022-05-26 US disclosed
EP-3964518-A1 CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2022-03-09 EP disclosed
EP-2970198-A1 DIHYDROQUINOLINE-2-ONE DERIVATIVES FOR USE AS ALDOSTERONE SYNTHASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2016-01-20 EP disclosed
EP-2964628-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES AS ALDOSTERONE SYNTHASE (CYP1 1 B2 OR CYP1 1 B1 ) INHIBITORS F. Hoffmann-La Roche AG (CH) 2016-01-13 EP disclosed
EP-2964646-A1 NOVEL PYRAZOL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-01-13 EP disclosed
US-20150376192-A1 NOVEL PYRAZOL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-12-31 US disclosed
US-20150376192-A1 NOVEL PYRAZOL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-12-31 US disclosed
US-20150376192-A1 NOVEL PYRAZOL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-12-31 US disclosed
WO-2014139981-A1 DIHYDROQUINOLINE-2-ONE DERIVATIVES FOR USE AS ALDOSTERONE SYNTHASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-18 WO disclosed
WO-2014135507-A1 NOVEL PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 WO disclosed
WO-2014135561-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES AS ALDOSTERONE SYNTHASE (CYP1 1 B2 OR CYP1 1 B1 ) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 WO disclosed
WO-2014135507-A1 NOVEL PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 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 (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-20220162253-A1 CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ENTPD5, ENTPD1, NT5E NPBWR1 3056/4885PDE1A 339/4885PDE1B 328/4885
US-20150376192-A1 NOVEL PYRAZOL DERIVATIVES CYP3A43, ADRB3, UGT1A3 NPBWR1 1649/4885PDE1A 1574/4885PDE1B 1434/4885
US-11667662-B2 Modulators of 5′-nucleotidase, ecto and the use thereof ENTPD5, NT5C2, NT5E NPBWR1 3085/4885PDE1A 844/4885PDE1B 1060/4885

“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.