SCHEMBL20073906

SCHEMBL20073906

CC(C)COC(=O)Nc1ccc(F)c(C(=O)CC#N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 5/20 0.44
HTT P42858 3/20 0.44
TSHR P16473 3/20 0.44
MAPK1 P28482 1/20 0.44
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
MMP12 P39900 2/20 0.38
MMP13 P45452 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL20073902 0.85 SMN1; SMN2 (0.52) SMN1; SMN2LMNAHTTTSHRMAPK1
SCHEMBL20073905 0.80 SMN1; SMN2 (0.51) SMN1; SMN2LMNAHTTTSHRMAPK1
SCHEMBL3035125 0.74 SMN1; SMN2 (0.59) SMN1; SMN2LMNAHTTTSHRMAPK1
SCHEMBL22550549 0.72 SMN1; SMN2 (0.60) SMN1; SMN2LMNAHTTTSHRMAPK1
SCHEMBL3580483 0.72 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTTSHRMAPK1
SCHEMBL4736981 0.72 FASN (0.48)
SCHEMBL6415967 0.72 SMN1; SMN2 (0.56) SMN1; SMN2LMNAHTTTSHRMAPK1
SCHEMBL8602553 0.71 SMN1; SMN2 (0.59) SMN1; SMN2LMNAHTTTSHRMAPK1
SCHEMBL5209200 0.71 LMNA (0.58) SMN1; SMN2LMNAHTTTSHRMAPK1
SCHEMBL22984233 0.70 SMN1; SMN2 (0.61) SMN1; SMN2LMNAHTTTSHRMAPK1

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 5 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

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 SMN1; SMN2 515/4885LMNA 3900/4885HTT 4378/4885
US-20200223855-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP SMN1; SMN2 515/4885LMNA 3900/4885HTT 4378/4885
US-11084826-B2 RSV antiviral pyrazolo- and triazolo-pyrimidine compounds ZC3HAV1, MAVS, TYMP SMN1; SMN2 515/4885LMNA 3900/4885HTT 4378/4885
US-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP SMN1; SMN2 515/4885LMNA 3900/4885HTT 4378/4885
US-20190248793-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP SMN1; SMN2 515/4885LMNA 3900/4885HTT 4378/4885

“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.