SCHEMBL752996

SCHEMBL752996

Cc1cnc(Oc2ccccc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.52
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
CYP1A2 P05177 3/20 0.46
HPGD P15428 2/20 0.46
ATM Q13315 2/20 0.46
MAPT P10636 2/20 0.46
CYP2C9 P11712 2/20 0.46
MAPK1 P28482 2/20 0.46
CYP2C19 P33261 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
OXTR P30559 1/20 0.45
AVPR1A P37288 1/20 0.45
HAO1 Q9UJM8 1/20 0.44
LTA4H P09960 2/20 0.42
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42

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
SCHEMBL20176867 0.82 KMT2A (0.38) HTTALDH1A1MEN1KMT2ANPC1
SCHEMBL20176878 0.82 LMNA (0.50) ALDH1A1KMT2ARAB9AMAPTMAPK1
SCHEMBL4797783 0.81 KMT2A (0.40) HTTALDH1A1MEN1KMT2ANPC1
SCHEMBL4797787 0.81 KDM4E (0.50) HTTALDH1A1MEN1KMT2ANPC1
SCHEMBL755451 0.81 MEN1 (0.54) HTTALDH1A1MEN1KMT2ANPC1
SCHEMBL20176874 0.77 KDM4E (0.41) HTTALDH1A1MEN1KMT2ANPC1
SCHEMBL8306130 0.76 KDM4E (0.53) HTTALDH1A1MEN1KMT2ANPC1
SCHEMBL18956985 0.76 BCAT2 (0.53) HTTALDH1A1MEN1KMT2ANPC1
SCHEMBL29854891 0.76 BCAT2 (0.53) HTTALDH1A1MEN1KMT2ANPC1
SCHEMBL26137911 0.76 HTT (0.52) HTTALDH1A1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2019-11-21 US disclosed
WO-2018092047-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2018-05-24 WO disclosed
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-20140011998-A1 DERIVATIVES OF 1-AMINO-2-CYCLOPROPYLETHYLBORONIC ACID MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-01-09 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT HTT 4561/4885ALDH1A1 658/4885MEN1 4766/4885
US-20140011998-A1 DERIVATIVES OF 1-AMINO-2-CYCLOPROPYLETHYLBORONIC ACID PSMB6, PSMB5, PSMB1 HTT 258/4885ALDH1A1 2471/4885MEN1 1829/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HTT 4541/4885ALDH1A1 424/4885MEN1 4775/4885
US-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, ABL1, CNKSR1 HTT 850/4885ALDH1A1 3977/4885MEN1 3821/4885

“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.