SCHEMBL904725

SCHEMBL904725

Cn1ccc2cc(C#N)cnc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.43
PTGER4 P35408 1/20 0.41
KDM1A O60341 3/20 0.41
APP P05067 1/20 0.40
IRAK4 Q9NWZ3 9/20 0.38
PIK3CB P42338 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GRM5 P41594 1/20 0.36
GRM2 Q14416 1/20 0.36

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
SCHEMBL25224577 0.91 KDM1A (0.38) HPGDSPTGER4KDM1AAPPIRAK4
SCHEMBL29713708 0.79 HPGDS (0.40) HPGDSPTGER4IRAK4KDM4EALDH1A1
SCHEMBL28927887 0.79 HPGDS (0.40) HPGDSPTGER4IRAK4KDM4EALDH1A1
SCHEMBL878879 0.79 HPGDS (0.40) HPGDSPTGER4IRAK4
SCHEMBL29713740 0.79 HPGDS (0.40) HPGDSPTGER4IRAK4
SCHEMBL3403664 0.76 HPGDS (0.38) HPGDSPTGER4IRAK4
SCHEMBL2476540 0.74 IRAK4 (0.40) HPGDSIRAK4
SCHEMBL27296922 0.74 CYP19A1 (0.41) HPGDSPTGER4IRAK4
SCHEMBL46327 0.74 CCR1 (0.47) APPPIK3CBKDM4E
SCHEMBL16887703 0.74 TP53 (0.43) HPGDSPTGER4IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250049036-A1 SUBSTITUTED FUSED BICYCLIC PYRIDINE CARBOXAMIDE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LTD. (IN) 2025-02-13 US disclosed
EP-4448494-A1 NOVEL SUBSTITUTED FUSED BICYCLIC PYRIDINE CARBOXAMIDE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI PI Industries Ltd. (IN) 2024-10-23 EP disclosed
CN-112823157-B Spirochroman derivatives 吉瑞工厂 2024-08-09 CN disclosed
EP-3820869-B1 SPIROCHROMANE DERIVATIVES RICHTER GEDEON NYRT (HU) 2023-08-30 EP disclosed
WO-2023112056-A1 NOVEL SUBSTITUTED FUSED BICYCLIC PYRIDINE CARBOXAMIDE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LTD. (IN) 2023-06-22 WO disclosed
US-20210330650-A1 SPIROCHROMANE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2021-10-28 US disclosed
US-20210330650-A1 SPIROCHROMANE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2021-10-28 US disclosed
EP-3820869-A1 SPIROCHROMANE DERIVATIVES Richter Gedeon Nyrt. (HU) 2021-05-19 EP disclosed
CN-112823157-A Spirochroman derivatives 吉瑞工厂 2021-05-18 CN disclosed
WO-2020012422-A1 SPIROCHROMANE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2020-01-16 WO disclosed
US-8530483-B2 Substituted azabenzoxazoles MERCK SHARP & DOHME CORP. (US) 2013-09-10 US disclosed
US-8530483-B2 Substituted azabenzoxazoles MERCK SHARP & DOHME CORP. (US) 2013-09-10 US disclosed
US-20130210858-A1 SULFAMOYL BENZOIC ACID HETEROBICYCLIC DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2013-08-15 US disclosed
WO-2012042915-A1 SULFAMOYL BENZOIC ACID HETEROBICYCLIC DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2012-04-05 WO disclosed
US-20110212031-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME CORP. 2011-09-01 US disclosed
US-20110212031-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME CORP. 2011-09-01 US disclosed
US-20110085985-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME LLC 2011-04-14 US disclosed
US-20110085985-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME LLC 2011-04-14 US disclosed
WO-2010051196-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME CORP. (US) 2010-05-06 WO disclosed
WO-2009155017-A2 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK & CO., INC. (US) 2009-12-23 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 (5 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-20250049036-A1 SUBSTITUTED FUSED BICYCLIC PYRIDINE CARBOXAMIDE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CBR3, C5, CBR1 HPGDS 4772/4885PTGER4 3777/4885KDM1A 291/4885
US-20110085985-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES APBA1, APP, BACE1 HPGDS 2929/4885PTGER4 3404/4885KDM1A 177/4885
US-20210330650-A1 SPIROCHROMANE DERIVATIVES CHRNA7, CHRM3, ADRB3 HPGDS 2971/4885PTGER4 1310/4885KDM1A 4226/4885
US-20130210858-A1 SULFAMOYL BENZOIC ACID HETEROBICYCLIC DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM6, TRPM5 HPGDS 2549/4885PTGER4 1900/4885KDM1A 2341/4885
US-20110212031-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MAOB, MAOA, AANAT HPGDS 3298/4885PTGER4 3033/4885KDM1A 248/4885

“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.