SCHEMBL675759

SCHEMBL675759

C=C(c1ccc2c(c1)c1c(Cl)ccnc1n2S(=O)(=O)c1ccccc1)c1ccccc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.37
PTGDR Q13258 2/20 0.36
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CCKAR P32238 1/20 0.33
SRC P12931 1/20 0.33
HTR6 P50406 1/20 0.33
ACLY P53396 2/20 0.32
HPGD P15428 1/20 0.32
TNFSF11 O14788 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL674879 0.90 PTGDR2 (0.37) PTGDR2PTGDRCYP3A4CYP2C9CYP2C19
SCHEMBL675466 0.88 ENPP3 (0.38) PTGDR2PTGDRENPP3ENPP1CYP3A4
SCHEMBL675452 0.83 SRC (0.37) PTGDR2PTGDRCYP3A4CYP2C9CYP2C19
SCHEMBL3726814 0.83 PSEN1 (0.36) PTGDR2PTGDRCYP3A4CYP2C9CYP2C19
SCHEMBL675182 0.82 PTGDR (0.36) PTGDR2PTGDRCYP3A4CYP2C9CYP2C19
SCHEMBL3671977 0.81 SRC (0.37) PTGDR2PTGDRCYP3A4CYP2C9CYP2C19
SCHEMBL675269 0.81 HDAC3 (0.39) PTGDR2HTR6MAPK1
SCHEMBL676109 0.79 PTGDR2 (0.37) PTGDR2PTGDRCYP3A4CYP2C9CYP2C19
SCHEMBL675382 0.76 HTR6 (0.43) PTGDR2ENPP3ENPP1CYP2C19SRC
SCHEMBL3662668 0.76 HTR6 (0.42) PTGDR2ENPP3ENPP1CYP2C19SRC

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-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP 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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 PTGDR2 3291/4885PTGDR 2786/4885ENPP3 4850/4885

“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.