SCHEMBL15544664

SCHEMBL15544664

CSC(=NC#N)Nc1ccc(Br)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.47
MEN1 O00255 7/20 0.47
MAPT P10636 6/20 0.47
LMNA P02545 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 6/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 5/20 0.45
ALOX15 P16050 2/20 0.43
ALOX12 P18054 2/20 0.43
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL15544661 1.00 KMT2A (0.47) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL15544496 0.84 ALDH1A1 (0.49) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL15544492 0.84 ALDH1A1 (0.49) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL18856789 0.84 CYP1A2 (0.48) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL15544951 0.84 IDO1 (0.35) MAPTALDH1A1L3MBTL1CYP1A2CYP2D6
SCHEMBL15544948 0.84 IDO1 (0.35) MAPTALDH1A1L3MBTL1CYP1A2CYP2D6
SCHEMBL15544706 0.83 IDO1 (0.51) LMNAALDH1A1GAAIDO1
SCHEMBL15544702 0.83 IDO1 (0.51) LMNAALDH1A1GAAIDO1
SCHEMBL18856467 0.83 IDO1 (0.39) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL15544748 0.81 IDO1 (0.40) KMT2ALMNANPC1ALDH1A1GAA

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
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
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
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 KMT2A 4470/4885MEN1 4686/4885MAPT 4508/4885
US-20140010783-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS KMT2A 4470/4885MEN1 4686/4885MAPT 4508/4885

“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.