SCHEMBL857052

SCHEMBL857052

COc1ccc2c(Cl)ncnc2c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 9/20 0.54
PDE1A P54750 3/20 0.54
PDE1C Q14123 3/20 0.54
PDE5A O76074 4/20 0.49
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
HPGD P15428 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 2/20 0.44
ENPP1 P22413 1/20 0.42
PDE2A O00408 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
SCHEMBL30605542 1.00 PDE1B (0.54) PDE1BPDE1APDE1CPDE5AALDH1A1
SCHEMBL17142295 0.84 ALDH1A1 (0.45) PDE1BPDE1APDE1CPDE5AALDH1A1
Hydrochloric Acid SCHEMBL28110846 0.83 ALDH1A1 (0.44) PDE1BPDE1APDE1CPDE5AALDH1A1
SCHEMBL17142289 0.81 ALDH1A1 (0.43) PDE1BPDE1APDE1CPDE5AALDH1A1
SCHEMBL17142264 0.81 ALDH1A1 (0.43) PDE1BPDE1APDE1CPDE5AALDH1A1
SCHEMBL857997 0.81 PDE5A (0.44) PDE1BPDE1APDE1CPDE5AALDH1A1
SCHEMBL4371694 0.81 PDE4B (0.64) PDE1BPDE1APDE1CALDH1A1MEN1
SCHEMBL856839 0.81 PDE5A (0.47) PDE1BPDE1APDE1CPDE5AALDH1A1
SCHEMBL856422 0.81 PDE5A (0.68) PDE1BPDE5AALDH1A1MEN1KMT2A
SCHEMBL12844112 0.81 PDE1B (0.55) PDE1BPDE1APDE1CPDE5AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260022135-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF 1CBIO INC (US) 2026-01-22 US disclosed
US-12325720-B2 Ectonucleotide pyrophosphatase-phosphodiesterase-1 (ENPP1) inhibitors and uses thereof 1CBIO, INC. (US) 2025-06-10 US disclosed
US-20240352046-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF 1CBIO INC (US) 2024-10-24 US disclosed
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
CN-116848091-A Inhibitors of ectonucleotide pyrophosphatase-phosphodiesterase-1 (ENPP 1) and uses thereof 1CBIO公司 2023-10-03 CN disclosed
EP-4236928-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF 1Cbio, Inc. (US) 2023-09-06 EP disclosed
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-01-05 US disclosed
WO-2022091048-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 WO disclosed
US-20220135598-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 US disclosed
WO-2015091805-A1 QUINAZOLIN-THF-AMINES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2015-06-25 WO disclosed
US-20150175584-A1 Quinazolin-THF-amines as PDE1 inhibitors H. LUNDBECK A/S (DK) 2015-06-25 US disclosed
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-04-17 US disclosed
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 US disclosed
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US disclosed
EP-2640366-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-09-25 EP disclosed
WO-2012068096-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-24 WO disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 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 (10 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-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA PDE1B 401/4885PDE1A 608/4885PDE1C 878/4885
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 ENPP1, ENPP3, SMPD1 PDE1B 247/4885PDE1A 216/4885PDE1C 323/4885
US-20260022135-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, NCEH1 PDE1B 84/4885PDE1A 233/4885PDE1C 166/4885
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 ENPP1, ENPP3, SMPD1 PDE1B 247/4885PDE1A 216/4885PDE1C 323/4885
US-20240352046-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, ENPP2 PDE1B 37/4885PDE1A 45/4885PDE1C 80/4885
US-20220135598-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, ENPP2 PDE1B 37/4885PDE1A 45/4885PDE1C 80/4885
US-20150175584-A1 Quinazolin-THF-amines as PDE1 inhibitors PDE12, PDE3A, PDE5A PDE1B 15/4885PDE1A 13/4885PDE1C 29/4885
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA PDE1B 594/4885PDE1A 739/4885PDE1C 1007/4885
US-12325720-B2 Ectonucleotide pyrophosphatase-phosphodiesterase-1 (ENPP1) inhibitors and uses thereof ENPP1, ENPP3, ENPP2 PDE1B 37/4885PDE1A 45/4885PDE1C 80/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA PDE1B 348/4885PDE1A 513/4885PDE1C 762/4885

“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.