SCHEMBL16014775

SCHEMBL16014775

Clc1cc(Cl)cc(Nc2nc[nH]n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 3/20 0.41
GRM4 Q14833 1/20 0.40
PTK6 Q13882 1/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
EGFR P00533 1/20 0.36
STK17A Q9UEE5 2/20 0.36
RAPGEF4 Q8WZA2 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL16014541 0.83 GRM4 (0.41) GRM4RAPGEF4
SCHEMBL16014596 0.83 S1PR2 (0.37) MEN1KMT2AMAPTGAAJAK2
SCHEMBL17403444 0.80 FFAR1 (0.35) MEN1KMT2AMAPTRAPGEF4GAA
SCHEMBL16014806 0.80 POLA1 (0.31) HDAC3HDAC1HDAC2HDAC6
SCHEMBL16014763 0.80 GRM4 (0.43) GRM4
SCHEMBL18856673 0.74 JAK2 (0.34) GAAJAK2
SCHEMBL18755089 0.73 LMNA (0.35) MAPTHDAC3HDAC1HDAC2HDAC6
SCHEMBL18856842 0.73 TDO2 (0.36) GRM4HDAC3HDAC1HDAC2HDAC6
SCHEMBL2297554 0.72 LMNA (0.50) MEN1KMT2AMAPTCDK1CDK2
SCHEMBL21756729 0.70 NFKB1 (0.44) MEN1KMT2AMAPTALDH1A1

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-2964626-A1 ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2016-01-13 EP claimed
US-20160002180-A1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (US) 2016-01-07 US claimed
WO-2014135472-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 WO claimed
EP-2964626-A1 ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2016-01-13 EP disclosed
US-20160002180-A1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (US) 2016-01-07 US disclosed
US-20160002180-A1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (US) 2016-01-07 US disclosed
US-20160002180-A1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (US) 2016-01-07 US disclosed
WO-2014135472-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 (1 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-20160002180-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS MEN1 4555/4885KMT2A 4602/4885MAPT 4473/4885

“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.