SCHEMBL11088652

SCHEMBL11088652

Cc1cccc2n[nH]c(=O)n12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 11/20 0.49
HTT P42858 1/20 0.45
CYP1A2 P05177 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDE5A O76074 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE1C Q14123 1/20 0.40
PDE3A Q14432 1/20 0.40
NOTUM Q6P988 4/20 0.39
PARP10 Q53GL7 1/20 0.37

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
SCHEMBL18632532 0.77 CHEK1 (0.43) CHEK1PDE5APDE1APDE1BPDE3B
SCHEMBL19646489 0.77 CHEK1 (0.42) CHEK1POLBPDE5APDE1APDE1B
SCHEMBL17403218 0.77 CHEK1 (0.42) CHEK1PDE5APDE1APDE1BPDE3B
SCHEMBL15886682 0.73 CHEK1 (0.49) CHEK1PDE5APDE1APDE1BPDE3B
SCHEMBL20996080 0.73 CHEK1 (0.39) CHEK1KDM4EPDE5APDE1APDE1B
SCHEMBL18632524 0.73 PDE3B (0.47) CHEK1CYP1A2PDE5APDE1APDE1B
SCHEMBL5470280 0.72 CHEK1 (0.67) CHEK1
SCHEMBL19584030 0.72 CHEK1 (0.38) CHEK1CYP1A2KDM4EALDH1A1POLB
SCHEMBL15995871 0.70 CHEK1 (0.43) CHEK1PDE5APDE1APDE1BPDE3B
SCHEMBL21034104 0.68 CHEK1 (0.35) CHEK1CYP1A2PDE5APDE1APDE1B

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210009555-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2021-01-14 US disclosed
US-9827244-B2 Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE AG (CH) 2017-11-28 US disclosed
US-9771351-B2 Wnt signaling inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-09-26 US disclosed
US-9771351-B2 Wnt signaling inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-09-26 US disclosed
US-20170000788-A1 Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease HOFFMANN LA ROCHE (CH) 2017-01-05 US disclosed
US-20160168125-A1 WNT SIGNALING INHIBITOR KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-06-16 US disclosed
US-20160168125-A1 WNT SIGNALING INHIBITOR KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-06-16 US disclosed
EP-3028703-A1 Wnt SIGNALING INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2016-06-08 EP disclosed
US-9359351-B2 Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE AG (CH) 2016-06-07 US disclosed
WO-2016005330-A1 DIHYDROPYRIDOPYRAZINE-1,8-DIONES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF VIRAL DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2016-01-14 WO disclosed
US-20160002227-A1 CAP/ENDO DUAL INHIBITORS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE HOFFMANN LA ROCHE (CH) 2016-01-07 US disclosed
WO-2015016195-A1 Wnt SIGNALING INHIBITOR 協和発酵キリン株式会社 (JP) 2015-02-05 WO disclosed
US-4465683-A TRIAZOLOPYRIDINONES MEAD JOHNSON & COMPANY (US) 1984-08-14 US disclosed
EP-0025985-B1 2-SUBSTITUTED TRIAZOLO(4,3-1)PYRIDIN-3(2H)-ONES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DEPRESSION Bristol-Myers Company (US) 1983-11-23 EP disclosed
EP-0025603-B1 TRIAZOLO (4,3-A)PYRIDIN-3(2H)-ONES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Bristol-Myers Company (US) 1983-11-02 EP disclosed
EP-0025985-A1 2-Substituted triazolo(4,3-1)pyridin-3(2H)-ones, process for their preparation and pharmaceutical compositions for the treatment of depression Bristol-Myers Company (US) 1981-04-01 EP disclosed
EP-0025603-A1 Triazolo (4,3-a)pyridin-3(2H)-ones, process for their preparation and pharmaceutical compositions containing them Bristol-Myers Company (US) 1981-03-25 EP disclosed
US-4254124-A 2-(3-(4-(TRIFLUOROMETHYLPHENYL)-PIPERAZINO)-PROPYL)-S-TRIAZOLO(4,3 -A)PYRIDIN-3-ONE MEAD JOHNSON & COMPANY (US) 1981-03-03 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 (4 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-20210009555-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 CHEK1 3729/4885HTT 3665/4885CYP1A2 715/4885
US-20170000788-A1 Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease MME, CAPRIN1, XPNPEP1 CHEK1 3715/4885HTT 3142/4885CYP1A2 949/4885
US-20160002227-A1 CAP/ENDO DUAL INHIBITORS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE MME, CAPRIN1, XPNPEP1 CHEK1 3715/4885HTT 3142/4885CYP1A2 949/4885
US-20160168125-A1 WNT SIGNALING INHIBITOR WNT3A, WNT1, WNT3 CHEK1 2689/4885HTT 4416/4885CYP1A2 814/4885

“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.