SCHEMBL139147

SCHEMBL139147

COc1ccc(C(=O)CC#N)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.66
ALDH1A1 P00352 4/20 0.66
ELANE P08246 1/20 0.61
TSHR P16473 2/20 0.58
CTNNB1 P35222 2/20 0.58
WNT3A P56704 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA7 P43166 1/20 0.56
TPMT P51580 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
PDE4B Q07343 2/20 0.53

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
SCHEMBL30487237 1.00 MAPT (0.66) MAPTALDH1A1ELANETSHRCTNNB1
SCHEMBL8317717 0.88 MAPT (0.53) MAPTALDH1A1ELANETSHRCTNNB1
SCHEMBL135295 0.87 MAPT (0.51) MAPTALDH1A1ELANETSHRCTNNB1
SCHEMBL12694462 0.87 MEN1 (0.65) MAPTALDH1A1ELANECYP1A2MEN1
SCHEMBL12694514 0.86 ALDH1A1 (0.61) MAPTALDH1A1ELANECYP1A2CYP2C19
SCHEMBL15353806 0.86 MAPT (0.50) MAPTALDH1A1ELANETSHRCTNNB1
SCHEMBL9902302 0.86 HTT (0.59) MAPTALDH1A1ELANETSHRCTNNB1
SCHEMBL28537504 0.84 ALDH1A1 (0.52) MAPTALDH1A1ELANETSHRCTNNB1
SCHEMBL7017185 0.84 CTNNB1 (0.63) MAPTALDH1A1ELANETSHRCTNNB1
SCHEMBL2089372 0.84 PDE4B (0.56) MAPTALDH1A1ELANEPDE4BPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021077194-A1 PROCESS FOR THE PRODUCTION OF ANTITUMOUR PHARMACEUTICAL COMPOSITIONS USING PUSH-PULL BUTADIENES, COMPOUNDS AND USES THEREOF ANHANGUERA EDUCACIONAL PARTICIPAÇÕES S/A (BR) 2021-04-29 WO claimed
CN-116535356-A 3-amino-5-phenyl-pyrazole derivative tubulin inhibitor and preparation and medical application thereof 中国药科大学 2023-08-04 CN disclosed
US-20230130823-A1 PROCESS FOR THE PRODUCTION OF ANTITUMOUR PHARMACEUTICAL COMPOSITIONS USING PUSH-PULL BUTADIENES, COMPOUNDS AND USES THEREOF ANHANGUERA EDUCACIONAL PARTICIPAÇÕES S/A (BR) 2023-04-27 US disclosed
US-20230130823-A1 PROCESS FOR THE PRODUCTION OF ANTITUMOUR PHARMACEUTICAL COMPOSITIONS USING PUSH-PULL BUTADIENES, COMPOUNDS AND USES THEREOF ANHANGUERA EDUCACIONAL PARTICIPAÇÕES S/A (BR) 2023-04-27 US disclosed
WO-2021077194-A1 PROCESS FOR THE PRODUCTION OF ANTITUMOUR PHARMACEUTICAL COMPOSITIONS USING PUSH-PULL BUTADIENES, COMPOUNDS AND USES THEREOF ANHANGUERA EDUCACIONAL PARTICIPAÇÕES S/A (BR) 2021-04-29 WO disclosed
EP-2430029-B1 THIENO[2,3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH (BE) 2018-01-10 EP disclosed
US-9499563-B2 Thieno [2, 3-B] pyridine derivatives as viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-11-22 US disclosed
CN-105367583-A THIENO[2, 3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH 2016-03-02 CN disclosed
CN-102459280-B Thieno [2,3-b ] pyridine derivatives as inhibitors of viral replication KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-10-14 CN disclosed
US-20140296272-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS CISTIM LEUVEN VZW (BE) 2014-10-02 US disclosed
EP-0945438-B1 PYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-05 EP disclosed
US-6180653-B1 EATING DISORDERS; DIETETICS; ANTIDIABETIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-01-30 US disclosed
US-6057335-A Pyrazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-05-02 US disclosed
US-6043246-A Urea derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-03-28 US disclosed
EP-0955293-A1 NOVEL UREA DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-11-10 EP disclosed
EP-0945438-A1 PYRAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed
EP-0945440-A1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed
EP-0900223-A1 THIENOPYRIDINE DERIVATIVES AND THEIR USE Takeda Chemical Industries, Ltd. (JP) 1999-03-10 EP disclosed
WO-1997040050-A1 THIENOPYRIDINE DERIVATIVES AND THEIR USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 WO disclosed
US-5453514-A Diabetes YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1995-09-26 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 (2 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-20230130823-A1 PROCESS FOR THE PRODUCTION OF ANTITUMOUR PHARMACEUTICAL COMPOSITIONS USING PUSH-PULL BUTADIENES, COMPOUNDS AND USES THEREOF BAD, BAX, PDCD4 MAPT 3567/4885ALDH1A1 2558/4885ELANE 1375/4885
US-20140296272-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS TYMP, DUT, MAVS MAPT 2061/4885ALDH1A1 1925/4885ELANE 3096/4885

“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.