SCHEMBL4833176

SCHEMBL4833176

ClC(Cl)(Cl)Cc1c[nH]c2ncccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.67
MET P08581 1/20 0.58
MTNR1A P48039 1/20 0.50
AXL P30530 1/20 0.50
DRD4 P21917 8/20 0.49
DRD2 P14416 6/20 0.49
DRD3 P35462 6/20 0.49
HTR2A P28223 3/20 0.47
HTR7 P34969 3/20 0.47
HTR6 P50406 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
HTR1A P08908 2/20 0.47
CYP2D6 P10635 2/20 0.47
TSHR P16473 2/20 0.47
NFKB1 P19838 2/20 0.47
HIF1A Q16665 2/20 0.47
CACNA1F O60840 1/20 0.47
ADRA2A P08913 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL12633109 0.83 GPR84 (0.67) GPR84METMTNR1AAXLDRD4
SCHEMBL7668337 0.81 GPR84 (0.73) GPR84METMTNR1AAXLDRD4
SCHEMBL14290337 0.81 GPR84 (0.63) GPR84METMTNR1AAXLDRD4
SCHEMBL27911675 0.80 GPR84 (1.00) GPR84METMTNR1AAXLDRD4
SCHEMBL2217980 0.79 GPR84 (0.76) GPR84METMTNR1AAXLDRD4
SCHEMBL3888485 0.78 GPR84 (0.69) GPR84METMTNR1AAXLDRD4
SCHEMBL2692513 0.77 GPR84 (0.73) GPR84METMTNR1AAXLDRD4
SCHEMBL7010590 0.77 GPR84 (0.73) GPR84METMTNR1AAXLDRD4
SCHEMBL31385845 0.77 GPR84 (0.73) GPR84METMTNR1AAXLDRD4
SCHEMBL3934105 0.77 GPR84 (0.73) GPR84METMTNR1AAXLDRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
EP-1664043-B1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2007-11-14 EP disclosed
US-20050137201-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2005-06-23 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-20050137201-A1 Compositions useful as inhibitors of protein kinases MAP3K20, PACSIN2, MAP3K6 GPR84 3850/4885MET 1700/4885MTNR1A 4426/4885

“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.