SCHEMBL25887

SCHEMBL25887

CC(O[C]=O)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ADRA2A P08913 4/20 0.41
ADRA2B P18089 4/20 0.41
ADRA2C P18825 4/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1B P35368 1/20 0.41
AOC3 Q16853 1/20 0.41
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL12061510 0.81 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL6752425 0.81 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL12061505 0.81 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL11672371 0.80 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL6248166 0.80 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL5690850 0.80 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL9572756 0.80 AOC3 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL10416031 0.79 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL5692139 0.77 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL6929498 0.77 ALDH1A1 (0.43) ALDH1A1CYP1A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758051-B1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-04-11 EP claimed
US-9328099-B2 Cyanomethylpyrazole carboxamides as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-03 US claimed
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US claimed
US-20240156792-A1 COMBINATION THERAPY USING AZABICYCLO COMPOUND FOR CANCER TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-05-16 US disclosed
US-11918562-B2 Combination therapy using azabicyclo compound for cancer TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-03-05 US disclosed
US-20220016090-A1 COMBINATION THERAPY USING AZABICYCLO COMPOUND FOR CANCER TAIHO PHARMACEUTICAL CO., LTD. (JP) 2022-01-20 US disclosed
US-11166943-B2 Combination therapy using azabicyclo compound for cancer TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-11-09 US disclosed
WO-2021024393-A1 CANCER COMBINATION THERAPY USING AZABICYCLIC COMPOUND AND POLYADENOSINE-5'-DIPHOSPHATE RIBOSE POLYMERASE INHIBITOR 大鵬薬品工業株式会社 2021-02-11 WO disclosed
WO-2021025065-A1 COMBINATION THERAPY FOR CANCER USING AZABICYCLIC COMPOUND AND POLY(ADENOSINE 5'-DIPHOSPHATE-RIBOSE) POLYMERASE INHIBITOR 大鵬薬品工業株式会社 2021-02-11 WO disclosed
US-10849886-B2 Combination therapy using azabicyclo compound for cancer TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-12-01 US disclosed
CN-107531624-B Pyrrolidine compounds 住友化学株式会社 2020-10-02 CN disclosed
EP-1262966-A2 Optical recording medium and novel azaporphyrin compound Mitsui Chemicals, Inc. (JP) 2002-12-04 EP disclosed
EP-1247655-A1 OPTICAL RECORDING MEDIUM AND NOVEL AZAPORPHYRIN COMPOUNDS Mitsui Chemicals, Inc. (JP) 2002-10-09 EP disclosed
EP-1245571-A1 BENZBISAZOLE COMPOUND AND OPTICAL RECORDING MEDIUM CONTAINING THE COMPOUND Mitsui Chemicals, Inc. (JP) 2002-10-02 EP disclosed
EP-1180765-A1 Optical recording medium and porphycene compound Mitsui Chemicals, Inc. (JP) 2002-02-20 EP disclosed
CN-1081676-A The indoles and the indazole derivatives that are used for the treatment and the prevention of cerebral disorders, their preparation and application SANKYO CO (JP) 1994-02-09 CN disclosed
EP-0562832-A1 Indole and indazole derivatives, for the treatment and prophylaxis of cerebral disorders, their preparation and their use SANKYO COMPANY LIMITED (JP) 1993-09-29 EP disclosed
US-4749691-A Peptide, process for preparation thereof and use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-06-07 US disclosed
US-4057550-A 14,15-DIHYDRO-14-CYANO-EBURNAMENINES, VASODILATION RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1977-11-08 US disclosed
US-4054571-A Nitrogen-containing polycyclic compounds and a process for the preparation thereof RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1977-10-18 US 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 (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-20240156792-A1 COMBINATION THERAPY USING AZABICYCLO COMPOUND FOR CANCER HSP90AB1, HSP90AA1, HSP90AB2P ALDH1A1 1356/4885CYP1A2 3901/4885CYP2C9 4168/4885
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 ALDH1A1 1995/4885CYP1A2 666/4885CYP2C9 473/4885
US-11918562-B2 Combination therapy using azabicyclo compound for cancer HSP90AB1, HSP90AA1, HSP90AB2P ALDH1A1 1356/4885CYP1A2 3901/4885CYP2C9 4168/4885
US-10849886-B2 Combination therapy using azabicyclo compound for cancer HSP90AB1, HSP90AA1, HSP90AB2P ALDH1A1 1356/4885CYP1A2 3901/4885CYP2C9 4168/4885
US-20220016090-A1 COMBINATION THERAPY USING AZABICYCLO COMPOUND FOR CANCER HSP90AB1, HSP90AA1, HSP90AB2P ALDH1A1 1356/4885CYP1A2 3901/4885CYP2C9 4168/4885
US-11166943-B2 Combination therapy using azabicyclo compound for cancer HSP90AB1, HSP90AA1, HSP90AB2P ALDH1A1 1356/4885CYP1A2 3901/4885CYP2C9 4168/4885

“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.