SCHEMBL16022569

SCHEMBL16022569

CS/C(=N\c1ccc(-c2ncnn2C)c(Cl)c1)NC#N

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 2/20 0.34
USP2 O75604 2/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
EGLN2 Q96KS0 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
SCHEMBL18754948 0.89 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1USP2LMNAPOLB
SCHEMBL18631812 0.77 EGLN2 (0.34) SMN1; SMN2ALDH1A1KMT2AEGLN2
SCHEMBL18631813 0.77 EGLN2 (0.34) SMN1; SMN2ALDH1A1KMT2AEGLN2
SCHEMBL16022680 0.72 HSD11B1 (0.37) ALDH1A1EGLN2
SCHEMBL16014783 0.72 HSD11B1 (0.35) EGLN2
SCHEMBL18653357 0.70 MAOB (0.36) KMT2AEGLN2
SCHEMBL10452572 0.70 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1USP2KMT2ALMNA
SCHEMBL15545332 0.69 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1USP2KMT2ALMNA
SCHEMBL16459527 0.69 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1USP2KMT2ALMNA
SCHEMBL8772859 0.69 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1USP2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964633-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-04-19 EP disclosed
US-20170081312-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2017-03-23 US disclosed
US-20170081312-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2017-03-23 US disclosed
US-9540345-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-01-10 US disclosed
US-9540345-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-01-10 US disclosed
US-20150368228-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-12-24 US disclosed
US-20150368228-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-12-24 US disclosed
WO-2014135471-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 WO 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 (2 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-20170081312-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS SMN1; SMN2 2886/4885ALDH1A1 190/4885USP2 3632/4885
US-20150368228-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS SMN1; SMN2 2886/4885ALDH1A1 190/4885USP2 3632/4885

“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.