SCHEMBL20064751

SCHEMBL20064751

CCc1cc(C(=O)O)nc2cc(-c3ccc(N(C)C)cc3)nn12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
PARP1 P09874 1/20 0.39
FYN P06241 2/20 0.39
GAA P10253 1/20 0.38
APP P05067 3/20 0.37
CFTR P13569 1/20 0.37
MAPT P10636 2/20 0.37
TOP1 P11387 2/20 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
SCHEMBL20064769 0.86 MCL1 (0.50) KDM4EALDH1A1GAAMAPT
SCHEMBL18198477 0.86 MAPT (0.45) KDM4EALDH1A1GAAMAPT
SCHEMBL20064790 0.85 FYN (0.40) KDM4EALDH1A1FYN
SCHEMBL20064760 0.84 FYN (0.43) KDM4EALDH1A1FYNMAPT
SCHEMBL20064800 0.84 KDM4E (0.35) KDM4EALDH1A1GAAAPPCFTR
SCHEMBL20064768 0.83 NPC1 (0.41) KDM4EALDH1A1GAAMAPT
SCHEMBL20064770 0.83 MET (0.44) KDM4EALDH1A1FYNGAAMAPT
SCHEMBL22223205 0.82 KDM4E (0.38) KDM4EALDH1A1GAAMAPT
SCHEMBL20064757 0.82 MCL1 (0.46) ALDH1A1GAAMAPT
SCHEMBL20064754 0.82 AKR1C3 (0.38) KDM4EALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3288942-B1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-10-27 EP disclosed
US-11084826-B2 RSV antiviral pyrazolo- and triazolo-pyrimidine compounds Janssen Sciences Ireland Unlimited Company (IE) 2021-08-10 US disclosed
US-20200223855-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2020-07-16 US disclosed
US-10208048-B2 RSV antiviral pyrazolo- and triazolo-pyrimidine compounds JANSSEN SCIENCES IRELAND UC (IE) 2019-02-19 US disclosed
US-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2018-04-19 US disclosed
US-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2018-04-19 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-10208048-B2 RSV antiviral pyrazolo- and triazolo-pyrimidine compounds ZC3HAV1, MAVS, TYMP KDM4E 3598/4885ALDH1A1 3193/4885PARP1 1063/4885
US-20200223855-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP KDM4E 3598/4885ALDH1A1 3193/4885PARP1 1063/4885
US-11084826-B2 RSV antiviral pyrazolo- and triazolo-pyrimidine compounds ZC3HAV1, MAVS, TYMP KDM4E 3598/4885ALDH1A1 3193/4885PARP1 1063/4885
US-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP KDM4E 3598/4885ALDH1A1 3193/4885PARP1 1063/4885

“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.