SCHEMBL3315512

SCHEMBL3315512

COc1ccc(COc2cc(Cl)nc(SC)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.49
ADORA1 P30542 2/20 0.49
PDE2A O00408 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPK1 P28482 1/20 0.41
APP P05067 5/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAOB P27338 1/20 0.40
LMNA P02545 2/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL18931737 0.86 ADORA3 (0.43) ADORA3ADORA1PDE2AL3MBTL1ALDH1A1
SCHEMBL18689633 0.85 KMT2A (0.54) ADORA3ADORA1PDE2AL3MBTL1ALDH1A1
SCHEMBL8558770 0.85 ALOX5 (0.48) ADORA3ADORA1L3MBTL1MEN1KMT2A
SCHEMBL1187851 0.82 PDE2A (0.67) ADORA3ADORA1PDE2AALDH1A1MEN1
SCHEMBL16727045 0.81 PDE2A (0.55) ADORA3ADORA1PDE2AALDH1A1NPC1
SCHEMBL31287897 0.80 PDE2A (0.53) ADORA3ADORA1PDE2ANPC1RAB9A
SCHEMBL23477785 0.78 APP (0.54) ADORA3ADORA1PDE2AALDH1A1NPC1
SCHEMBL8167810 0.77 PDE2A (0.48) ADORA3ADORA1PDE2AL3MBTL1ALDH1A1
SCHEMBL3315344 0.76 ESR1 (0.52) ADORA3PDE2AL3MBTL1ALDH1A1MAPT
SCHEMBL15595369 0.76 APP (0.54) PDE2AALDH1A1NPC1RAB9AAPP

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
US-12459927-B2 Plasma kallikrein inhibitors MERCK SHARP & DOHME LLC (US) 2025-11-04 US disclosed
EP-4069366-B1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2025-03-19 EP disclosed
CN-115989224-B Plasma kallikrein inhibitors 默沙东有限责任公司 2025-02-25 CN disclosed
US-20230286958-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-09-14 US disclosed
US-20230286958-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-09-14 US disclosed
US-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2023-06-27 US disclosed
US-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2023-06-27 US disclosed
EP-4164634-A1 PLASMA KALLIKREIN INHIBITORS Merck Sharp & Dohme LLC (US) 2023-04-19 EP disclosed
CN-115989224-A Plasma kallikrein inhibitors 默沙东有限责任公司 2023-04-18 CN disclosed
EP-4069366-A1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2022-10-12 EP disclosed
WO-2012129338-A1 AZOLE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-09-27 WO disclosed
WO-2012129338-A1 AZOLE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-09-27 WO disclosed
WO-2012078777-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-06-14 WO disclosed
WO-2012078777-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-06-14 WO disclosed
US-20100113440-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS TIBOTEC PHARMACEUTICALS, LTD. (IE) 2010-05-06 US disclosed
US-20100113440-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS TIBOTEC PHARMACEUTICALS, LTD. (IE) 2010-05-06 US disclosed
US-20100113440-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS TIBOTEC PHARMACEUTICALS, LTD. (IE) 2010-05-06 US disclosed
EP-2118091-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS Tibotec Pharmaceuticals (IE) 2009-11-18 EP disclosed
WO-2008095999-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-14 WO disclosed
WO-2008095999-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-14 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-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof ATM, CHEK2, CHEK1 ADORA3 4379/4885ADORA1 4240/4885PDE2A 1236/4885
US-20230286958-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, KLK5 ADORA3 2778/4885ADORA1 2233/4885PDE2A 1472/4885
US-20100113440-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS NUDT1, PNP, SLC28A1 ADORA3 2631/4885ADORA1 2366/4885PDE2A 1805/4885
US-12459927-B2 Plasma kallikrein inhibitors KLKB1, SERPINE1, KLK5 ADORA3 2778/4885ADORA1 2233/4885PDE2A 1472/4885

“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.