SCHEMBL675182

SCHEMBL675182

C=C(c1ccc2c(c1)c1ccc(Cl)nc1n2S(=O)(=O)c1ccccc1)c1ccccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 2/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
SRC P12931 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 1/20 0.35
ACLY P53396 3/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
HTR6 P50406 1/20 0.33
KAT6A Q92794 2/20 0.32
TNFSF11 O14788 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 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
SCHEMBL676109 0.89 PTGDR2 (0.37) PTGDRPTGDR2SRCCYP3A4CYP2C9
SCHEMBL675913 0.88 SRC (0.40) PTGDRPTGDR2SRCCYP3A4CYP2C9
SCHEMBL675452 0.84 SRC (0.37) PTGDRPTGDR2SRCCYP3A4CYP2C9
SCHEMBL3728168 0.82 PSEN1 (0.36) PTGDRPTGDR2SRCCYP3A4CYP2C9
SCHEMBL675759 0.82 PTGDR2 (0.37) PTGDRPTGDR2SRCCYP3A4CYP2C9
SCHEMBL676361 0.80 HDAC3 (0.41) PPARGPPARDPPARAHTR6KAT6A
SCHEMBL674879 0.80 PTGDR2 (0.37) PTGDRPTGDR2SRCCYP3A4CYP2C9
SCHEMBL3667603 0.77 SRC (0.40) PTGDRPTGDR2SRCCYP3A4CYP2C9
SCHEMBL675280 0.76 HTR6 (0.44) SRCACLYPPARGPPARDPPARA
SCHEMBL3668236 0.76 HTR6 (0.46) SRCACLYPPARGPPARDPPARA

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 PTGDR 2786/4885PTGDR2 3291/4885SRC 178/4885

“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.