SCHEMBL15544101

SCHEMBL15544101

Nc1cc(Cl)c(C(=O)Nc2ccccc2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.57
GAA P10253 1/20 0.51
TYK2 P29597 5/20 0.51
JAK2 O60674 4/20 0.50
JAK1 P23458 2/20 0.50
CYP3A4 P08684 1/20 0.50
KMT2A Q03164 2/20 0.49
PTPRC P08575 1/20 0.48
TMPRSS4 Q9NRS4 1/20 0.47
POLB P06746 1/20 0.47
PLAU P00749 1/20 0.47
NPC1 O15118 3/20 0.47
ALDH1A1 P00352 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL4152879 0.86 PTPRC (0.61) GAATYK2JAK2JAK1CYP3A4
SCHEMBL3514356 0.83 TYK2 (0.69) NR1H4TYK2JAK2JAK1CYP3A4
SCHEMBL16478278 0.83 MEN1 (0.60) GAATYK2JAK2JAK1CYP3A4
SCHEMBL4218208 0.82 FADS1 (0.51) GAAJAK1KMT2APTPRCTMPRSS4
SCHEMBL4154853 0.82 TYK2 (0.71) GAATYK2JAK2JAK1CYP3A4
SCHEMBL8311977 0.80 JAK2 (0.73) GAATYK2JAK2JAK1CYP3A4
SCHEMBL18856752 0.79 LMNA (0.55) GAAKMT2ANPC1ALDH1A1RAB9A
SCHEMBL15544287 0.78 KMT2A (0.63) NR1H4TYK2JAK2KMT2AALDH1A1
SCHEMBL14991989 0.78 JAK1 (0.75) GAATYK2JAK2JAK1CYP3A4
SCHEMBL15544240 0.78 KMT2A (0.66) GAACYP3A4KMT2APOLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2870143-B1 TRIAZOLE COMPOUNDS AS ANTIVIRALS HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
EP-2870143-B1 TRIAZOLE COMPOUNDS AS ANTIVIRALS HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
US-20150307461-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-10-29 US disclosed
US-20150307461-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-10-29 US disclosed
US-20150307461-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-10-29 US disclosed
EP-2870143-A1 TRIAZOLE COMPOUNDS AS ANTIVIRALS F. Hoffmann-La Roche AG (CH) 2015-05-13 EP disclosed
US-20140010783-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2014-01-09 US disclosed
US-20140010783-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2014-01-09 US disclosed
US-20140010783-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2014-01-09 US disclosed
WO-2014006066-A1 TRIAZOLE COMPOUNDS AS ANTIVIRALS F. HOFFMANN-LA ROCHE AG (CH) 2014-01-09 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-20150307461-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS NR1H4 226/4885GAA 88/4885TYK2 4441/4885
US-20140010783-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS NR1H4 226/4885GAA 88/4885TYK2 4441/4885

“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.