SCHEMBL1303307

SCHEMBL1303307

CCc1cncc(B(O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPL P06858 8/20 0.48
LIPG Q9Y5X9 8/20 0.48
ENPP2 Q13822 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPV1 Q8NER1 1/20 0.32
MGLL Q99685 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL15940842 0.81 ENPP2 (0.50) LPLLIPGENPP2
SCHEMBL3865554 0.80 LPL (0.33) LPLLIPGENPP2CA1CA2
Hydrochloric Acid SCHEMBL29955592 0.79 ENPP2 (0.48) LPLLIPGENPP2
SCHEMBL2216611 0.79 SMYD3 (0.32) LPLLIPGSMYD3MAPTHTT
SCHEMBL2067301 0.79 CYP11B2 (0.42) LPLLIPGENPP2CA1CA2
SCHEMBL17847176 0.79 GABRA1 (0.34) LPLLIPGENPP2
SCHEMBL17997487 0.79 DYRK1A (0.36) LPLLIPGENPP2MAPT
SCHEMBL17556274 0.79 CHRNB2 (0.43) LPLLIPGENPP2MAPTCHRNB2
SCHEMBL10311181 0.78 LIPG (0.59) LPLLIPGCA1CA2TRPV1
SCHEMBL240843 0.77 SMYD3 (0.39) SMYD3MAPTHTTSMN1; SMN2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208999-A1 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-06-27 US disclosed
US-11932657-B2 Heterocyclic compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-03-19 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20210340157-A1 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-11-04 US disclosed
EP-3847176-A1 HETEROCYCLIC COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2021-07-14 EP disclosed
CN-112654627-A Heterocyclic compounds 大塚制药株式会社 2021-04-13 CN disclosed
WO-2019156989-A1 COMPOUNDS AND METHODS FOR THE MODULATION OF AhR IDEAYA BIOSCIENCES, INC. (US) 2019-08-15 WO disclosed
US-10172814-B2 Substituted pyridyl-cycloalkyl-carboxylic acids, compositions containing them and medical uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-01-08 US disclosed
EP-3056207-B1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMA CO LTD (JP) 2018-06-20 EP disclosed
US-20170354620-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
US-8053574-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
US-8053574-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
US-20110178065-A1 NOVEL CYP17 INHIBITORS BIOMARIN PHARMACEUTICAL INC. (US) 2011-07-21 US disclosed
WO-2011088160-A2 NOVEL CYP17 INHIBITORS BIOMARIN PHARMACEUTICAL INC. (US) 2011-07-21 WO disclosed
US-20100197682-A1 Organic Compounds NOVARTIS AG 2010-08-05 US disclosed
US-20100197682-A1 Organic Compounds NOVARTIS AG 2010-08-05 US disclosed
US-20100197682-A1 Organic Compounds NOVARTIS AG 2010-08-05 US disclosed
EP-2178868-A1 BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Novartis Ag (CH) 2010-04-28 EP disclosed
WO-2009010530-A1 BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS KINASE INHIBITORS NOVARTIS AG (CH) 2009-01-22 WO disclosed
WO-2009010530-A1 BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS KINASE INHIBITORS NOVARTIS AG (CH) 2009-01-22 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 (7 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-10172814-B2 Substituted pyridyl-cycloalkyl-carboxylic acids, compositions containing them and medical uses thereof PTGER1, PTGES, PTGES3 LPL 2809/4885LIPG 1050/4885ENPP2 37/4885
US-20110178065-A1 NOVEL CYP17 INHIBITORS CYP17A1, CYP21A2, HSD17B1 LPL 654/4885LIPG 539/4885ENPP2 2457/4885
US-20170354620-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF PTGER1, PTGES, PTGES3 LPL 2809/4885LIPG 1050/4885ENPP2 37/4885
US-20210340157-A1 HETEROCYCLIC COMPOUND AHR, PDGFRA, PDGFRB LPL 1612/4885LIPG 963/4885ENPP2 871/4885
US-11932657-B2 Heterocyclic compound AHR, PDGFRA, PDGFRB LPL 1612/4885LIPG 963/4885ENPP2 871/4885
US-20240208999-A1 HETEROCYCLIC COMPOUND AHR, PDGFRA, PDGFRB LPL 1612/4885LIPG 963/4885ENPP2 871/4885
US-20100197682-A1 Organic Compounds PIK3CA, PI4KA, PI4KB LPL 1369/4885LIPG 782/4885ENPP2 861/4885

“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.