SCHEMBL12414780

SCHEMBL12414780

Cc1cc(N)c(C#N)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
CYP3A4 P08684 3/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.33
USP2 O75604 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CD44 P16070 1/20 0.32
ADRB2 P07550 3/20 0.32
ABL1 P00519 1/20 0.32
KDR P35968 1/20 0.32
CYP1A2 P05177 2/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
DYRK1A Q13627 1/20 0.31
EGLN2 Q96KS0 1/20 0.31
UHRF1 Q96T88 1/20 0.30
MEN1 O00255 1/20 0.30
TTR P02766 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
SCHEMBL16320147 0.94 TSHR (0.37) TSHRCYP3A4MAPK1ALDH1A1KDM4E
SCHEMBL5287616 0.87 TSHR (0.48) TSHRCYP3A4MAPK1ALDH1A1KDM4E
SCHEMBL28863952 0.82 POLB (0.38) TSHRCYP3A4MAPK1ALDH1A1KDM4E
SCHEMBL1343876 0.80 TSHR (0.39) TSHRALDH1A1EGLN2MEN1TTR
SCHEMBL11689061 0.80 HTT (0.36) TSHRCYP3A4MAPK1ALDH1A1KDM4E
SCHEMBL30702008 0.80 TSHR (0.39) TSHRALDH1A1EGLN2MEN1TTR
SCHEMBL7024058 0.80 TSHR (0.52) TSHRCYP3A4MAPK1ALDH1A1KDM4E
SCHEMBL13147636 0.78 TSHR (0.48) TSHRCYP3A4MAPK1ALDH1A1KDM4E
SCHEMBL1343737 0.78 TSHR (0.41) TSHRALDH1A1TDP1DYRK1AMEN1
SCHEMBL1771090 0.77 TSHR (0.42) TSHRCYP3A4MAPK1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841311-B2 Sulphone-substituted quinazoline derivatives as immuno-modulators, their preparation and use as medicaments BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-23 US disclosed
US-20110166168-A1 Sulphone-substituted quinazoline derivatives as immuno-modulators, their preparation and use as medicaments BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 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 (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-20110166168-A1 Sulphone-substituted quinazoline derivatives as immuno-modulators, their preparation and use as medicaments TPMT, IFNG, HLA-DRB1 TSHR 3982/4885CYP3A4 221/4885MAPK1 2766/4885

“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.