SCHEMBL20064800

SCHEMBL20064800

CCc1cc(C(=O)O)nc2cc(-c3ccc(N(C)C)cc3F)nn12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 4/20 0.35
KMO O15229 3/20 0.34
SCN9A Q15858 2/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.32
CASP1 P29466 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR2 Q92731 1/20 0.32
SLC16A3 O15427 1/20 0.31
APP P05067 1/20 0.31
GAA P10253 1/20 0.31
CFTR P13569 1/20 0.31
PSMB5 P28074 1/20 0.30
APOBEC3A P31941 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL18198479 0.88 KDM4E (0.36) KDM4EALDH1A1TP53MAPTHSD17B10
SCHEMBL18198351 0.86 MCL1 (0.36) KDM4EALDH1A1KMOTP53MAPT
SCHEMBL20064762 0.84 ADORA2A (0.42) KDM4EALDH1A1TP53MAPTHSD17B10
SCHEMBL20064751 0.84 KDM4E (0.40) KDM4EALDH1A1MAPTAPPGAA
SCHEMBL18198326 0.84 KDM4E (0.36) KDM4EALDH1A1KMOMAPTHSD17B10
SCHEMBL20064752 0.82 ALDH1A1 (0.38) KDM4EALDH1A1TP53MAPTGAA
SCHEMBL20065174 0.80 HPGD (0.45) KDM4EALDH1A1TP53HSD17B10MEN1
SCHEMBL22223333 0.80 HPGD (0.45) KDM4EALDH1A1TP53HSD17B10MEN1
SCHEMBL21257441 0.80
SCHEMBL20064794 0.80 MET (0.42)

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 3193/4885KMO 884/4885
US-20200223855-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP KDM4E 3598/4885ALDH1A1 3193/4885KMO 884/4885
US-11084826-B2 RSV antiviral pyrazolo- and triazolo-pyrimidine compounds ZC3HAV1, MAVS, TYMP KDM4E 3598/4885ALDH1A1 3193/4885KMO 884/4885
US-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP KDM4E 3598/4885ALDH1A1 3193/4885KMO 884/4885

“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.