SCHEMBL69609

SCHEMBL69609

[c]1ccn(-c2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
MAOA P21397 1/20 0.37
ADORA2A P29274 5/20 0.37
ADORA1 P30542 4/20 0.37
ADORA2B P29275 3/20 0.37
GAA P10253 1/20 0.36
ADORA3 P0DMS8 6/20 0.36
CYP2C9 P11712 1/20 0.35
CYP3A4 P08684 1/20 0.34
P2RX7 Q99572 1/20 0.34
ESR2 Q92731 1/20 0.34
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL17710270 0.83 MGLL (0.42) KDM4EMAOAMAPTTSHR
SCHEMBL16719635 0.80 MAOA (0.39) NOTUMKDM4EHPGDMAOAMAPT
SCHEMBL344002 0.80 NOTUM (0.48) NOTUMKDM4EADORA2AADORA3CYP3A4
SCHEMBL7229166 0.78 NOTUM (0.47) NOTUMKDM4EHPGDADORA2AADORA1
SCHEMBL1896258 0.78 NOTUM (0.47) NOTUMKDM4EADORA3MAPTHTT
SCHEMBL7227796 0.78 NOTUM (0.54) NOTUMCYP2C9CYP3A4MAPTHTT
SCHEMBL17205961 0.77 MGLL (0.41) NOTUMMAPTHTT
SCHEMBL2342193 0.77 KEAP1 (0.53) NOTUMADORA2AGAAADORA3MAPT
SCHEMBL295060 0.77 CYP19A1 (0.45) NOTUMKDM4EGAACYP2C9CYP3A4
SCHEMBL17710268 0.74 MGLL (0.39) KDM4EGAAADORA3CYP2C9CYP3A4

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 650 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
US-20230374014-A1 CGAS INHIBITING TRIAZOLOPYRIMIDONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-11-23 US claimed
US-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2023-10-26 US claimed
US-20230232828-A1 SULPHONAMIDES AS METHIONINE METABOLIC PATHWAY INHIBITORS MIGAL - GALILEE RESEARCH INSTITUTE LTD. (IL) 2023-07-27 US 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
EP-3891145-B1 MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS INC (US) 2023-04-12 EP claimed
EP-4153593-A1 CGAS INHIBITING TRIAZOLOPYRIMIDONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-03-29 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
WO-2021233852-A1 CGAS INHIBITING TRIAZOLOPYRIMIDONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-11-25 WO claimed
CN-105980386-B Pyrazolo compounds and uses thereof 基因泰克公司 2021-08-13 CN claimed
US-20030186978-A1 Novel telomerase inhibitors PHARMACIA ITALIA, SPA (IT) 2003-10-02 US claimed
WO-2002090357-A1 DISUBSTITUTED 1,7-GUANINES PHARMACIA ITALIA S.P.A. (IT) 2002-11-14 WO claimed
WO-2001096339-A1 NOVEL TELOMERASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2001-12-20 WO claimed
EP-1042291-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP claimed
WO-1999031064-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO claimed
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP claimed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 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
CN-85103468-A Prepare the method for new compound and new purposes thereof 1986-09-10 CN 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-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS CSNK1A1, CSNK1D, CSNK1G1 NOTUM 2844/4885KDM4E 4330/4885HPGD 488/4885
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 NOTUM 233/4885KDM4E 4728/4885HPGD 613/4885
US-20230232828-A1 SULPHONAMIDES AS METHIONINE METABOLIC PATHWAY INHIBITORS GSS, CBS, CTH NOTUM 119/4885KDM4E 2501/4885HPGD 2106/4885
US-20230374014-A1 CGAS INHIBITING TRIAZOLOPYRIMIDONE DERIVATIVES CGAS, GLS2, GBA3 NOTUM 4232/4885KDM4E 4276/4885HPGD 1624/4885
US-20030186978-A1 Novel telomerase inhibitors TERT, TERF2IP, TERF2 NOTUM 3555/4885KDM4E 1491/4885HPGD 2845/4885
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 NOTUM 346/4885KDM4E 4739/4885HPGD 579/4885

“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.