SCHEMBL20064688

SCHEMBL20064688

CCOC(=O)c1cc(CC)n2nc(-c3cccs3)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.50
KDM4E B2RXH2 10/20 0.50
GAA P10253 5/20 0.50
HPGD P15428 5/20 0.50
KMT2A Q03164 4/20 0.50
CASP1 P29466 1/20 0.47
MEN1 O00255 2/20 0.46
GLA P06280 1/20 0.45
RECQL P46063 1/20 0.45
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
HSD17B10 Q99714 3/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CLK1 P49759 1/20 0.43

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
SCHEMBL20064747 0.86 ALDH1A1 (0.52) ALDH1A1KDM4EGAAHPGDKMT2A
SCHEMBL18198492 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EGAAHPGDKMT2A
SCHEMBL20064720 0.80 MAPT (0.59) ALDH1A1KDM4EGAAHPGDKMT2A
SCHEMBL20064696 0.80 HPGD (0.48) ALDH1A1KDM4EGAAHPGDKMT2A
SCHEMBL20064719 0.80 MAPT (0.43) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL18198346 0.79 MAPT (0.47) ALDH1A1KDM4EGAAHPGDKMT2A
SCHEMBL18198477 0.79 MAPT (0.45) ALDH1A1KDM4EGAAHPGDKMT2A
SCHEMBL20064682 0.79 MAPT (0.45) ALDH1A1KDM4EGAAHPGDKMT2A
SCHEMBL20064708 0.78 MAPT (0.45) ALDH1A1KDM4EGAAHPGDKMT2A
SCHEMBL20064726 0.77 NPC1 (0.53) ALDH1A1KDM4EGAAHPGDKMT2A

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
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-20190248793-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2019-08-15 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 (5 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 ALDH1A1 3193/4885KDM4E 3598/4885GAA 2343/4885
US-20200223855-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP ALDH1A1 3193/4885KDM4E 3598/4885GAA 2343/4885
US-11084826-B2 RSV antiviral pyrazolo- and triazolo-pyrimidine compounds ZC3HAV1, MAVS, TYMP ALDH1A1 3193/4885KDM4E 3598/4885GAA 2343/4885
US-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP ALDH1A1 3193/4885KDM4E 3598/4885GAA 2343/4885
US-20190248793-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP ALDH1A1 3193/4885KDM4E 3598/4885GAA 2343/4885

“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.