SCHEMBL430176

SCHEMBL430176

[c]1cnn(-c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
NOTUM Q6P988 3/20 0.40
HPGDS O60760 1/20 0.38
ALKBH2 Q6NS38 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
P2RX7 Q99572 1/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
MAOA P21397 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2C9 P11712 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
ADRB1 P08588 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 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
SCHEMBL2903090 0.77 NOTUM (0.48) GAANOTUMNPC1RAB9AP2RX7
SCHEMBL671068 0.77 NOTUM (0.44) NOTUMNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL2752440 0.77 NOTUM (0.44) NOTUMKDM4EL3MBTL1GRM4MAPT
SCHEMBL2902806 0.76 NOTUM (0.50) GAANOTUMNPC1RAB9AKDM4E
SCHEMBL1897559 0.76 KEAP1 (0.50) GAANOTUMNPC1POLBGRM4
SCHEMBL1492667 0.76 ADRB1 (0.43) NOTUMNPC1RAB9AL3MBTL1ADRB1
SCHEMBL13835204 0.76 MGLL (0.42) SMN1; SMN2L3MBTL1
SCHEMBL7229570 0.74 NOTUM (0.44) NOTUMTSHRKDM4EPOLB
SCHEMBL2760897 0.73 NOTUM (0.53) NOTUMNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL2760925 0.73 CYP1A2 (0.46) NPC1RAB9ASMN1; SMN2P2RX7KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
EP-3189049-B1 PHTHALAZINE DERIVATIVES OF FORMULA (I) AS PCAF AND GCN5 INHIBITORS FOR USE IN THE TREATMENT OF CANCER GENENTECH INC (US) 2024-03-20 EP claimed
EP-3720858-B1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-06-07 EP claimed
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2022-12-15 US claimed
CN-110092788-B Substituted [1,2,4] triazolo [1,5-a ] pyrimidin-7-yl compounds as PDE2 inhibitors 达特神经科学(开曼)有限公司 2022-02-25 CN claimed
EP-3597649-B1 COMPOSITIONS CONTAINING SUBSTITUTED [1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL COMPOUNDS AS PDE2 INHIBITORS DART NEUROSCIENCE CAYMAN LTD (KY) 2021-10-13 EP claimed
US-20210253562-A1 ACYLSUFONAMIDE COMPOUNDS USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2021-08-19 US claimed
CN-105980386-B Pyrazolo compounds and uses thereof 基因泰克公司 2021-08-13 CN claimed
CN-109071506-B Substituted 2- (hetero) arylimidazolyl carboxamides as pest control agents 拜耳作物科学股份公司 2021-03-02 CN claimed
CN-107074824-B Phthalazine derivatives of formula (I) as PCAF and GCN5 inhibitors for the treatment of cancer 基因泰克公司 2021-01-08 CN claimed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO claimed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US claimed
US-6683191-B2 PREPARING A AZOLE COMPOUND ON A SOLID SUPPORT RESIN, CLEAVING THE COMPOUND FROM THE SOLID SUPPORT RESIN BY NUCLEOPHILIC SUBSTITUTION TO FURTHER SUBSTITUTING BY ALKYLATION REACTION ORTHO-MCNEIL PHARMACEUTICALS, INC. 2004-01-27 US claimed
EP-1309589-A2 UREA COMPOUNDS AND METHODS OF USES Amgen Inc. (US) 2003-05-14 EP claimed
US-20020173507-A1 Urea compounds and methods of uses AMGEN INC. 2002-11-21 US claimed
US-20020077483-A1 Method for synthesis of substituted azole libraries ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-06-20 US claimed
WO-2002014311-A2 UREA COMPOUNDS AND METHODS OF USES AMGEN INC. (US) 2002-02-21 WO claimed
WO-2001094317-A2 METHOD FOR SYNTHESIS OF SUBSTITUTED AZOLE LIBRARIES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-12-13 WO claimed
US-5185027-A Salicylaldehyde derivatives and salicyclic acid derivatives and their sulfur analogs, and their use as herbicides and bioregulators BASF AKTIENGESELLSCHAFT (DE) 1993-02-09 US claimed
US-5085686-A Plant growth regulator BASF AKTIENGESELLSCHAFT (DE) 1992-02-04 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ADRB3, ADRB1, ADRB2 GAA 1959/4885NOTUM 233/4885HPGDS 1161/4885
US-20020173507-A1 Urea compounds and methods of uses SLC14A1, UMPS, BAX GAA 483/4885NOTUM 1711/4885HPGDS 344/4885
US-20020077483-A1 Method for synthesis of substituted azole libraries CYP51A1, LSS, CYP2F1 GAA 3366/4885NOTUM 3732/4885HPGDS 3039/4885
US-20210253562-A1 ACYLSUFONAMIDE COMPOUNDS USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, FFAR3, PTGES3 GAA 3078/4885NOTUM 2073/4885HPGDS 104/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 GAA 1157/4885NOTUM 1088/4885HPGDS 3693/4885
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 GAA 1863/4885NOTUM 346/4885HPGDS 1037/4885

“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.