SCHEMBL20073902

SCHEMBL20073902

Cc1cc(NC(=O)OCC(C)C)ccc1C(=O)CC#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 5/20 0.45
HTT P42858 4/20 0.45
TSHR P16473 3/20 0.45
ALOX15 P16050 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 4/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
MMP12 P39900 2/20 0.39
MMP13 P45452 2/20 0.39
CYP2C9 P11712 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 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
SCHEMBL20073906 0.85 SMN1; SMN2 (0.51) SMN1; SMN2LMNAHTTTSHRALOX15
SCHEMBL20073905 0.84 SMN1; SMN2 (0.51) SMN1; SMN2LMNAHTTTSHRALOX15
SCHEMBL22984233 0.76 SMN1; SMN2 (0.61) SMN1; SMN2LMNAHTTTSHRALOX15
SCHEMBL12537832 0.74 LMNA (0.62) SMN1; SMN2LMNAHTTTSHRALOX15
SCHEMBL3580483 0.73 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTTSHRALOX15
SCHEMBL6415967 0.72 SMN1; SMN2 (0.56) SMN1; SMN2LMNAHTTTSHRALOX15
SCHEMBL8600750 0.72 SMN1; SMN2 (0.59) SMN1; SMN2LMNAHTTTSHRALOX15
SCHEMBL10192028 0.72 SMN1; SMN2 (0.61) SMN1; SMN2LMNAHTTTSHRALOX15
SCHEMBL4850349 0.70 KCNH2 (0.50) SMN1; SMN2HTTKDM4EALDH1A1MAPT
SCHEMBL10191990 0.70 LMNA (0.79) SMN1; SMN2LMNAHTTTSHRALOX15

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-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.