SCHEMBL675485

SCHEMBL675485

C=C(c1ccccc1)c1ccc2c(c1)c1cc(Cl)cnc1n2S(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.41
ACLY P53396 3/20 0.38
HTR6 P50406 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPARG P37231 3/20 0.35
PPARA Q07869 3/20 0.35
PPARD Q03181 2/20 0.35
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
PTGDR2 Q9Y5Y4 4/20 0.34
PTGDR Q13258 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KDM4A O75164 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL16241827 0.91 HTR6 (0.41) SRCHTR6PPARGPPARAPSEN1
SCHEMBL675869 0.90 HTR6 (0.40) HTR6PPARGPPARAPPARDL3MBTL1
SCHEMBL675452 0.88 SRC (0.37) SRCACLYHTR6CYP3A4CYP2C9
SCHEMBL675913 0.82 SRC (0.40) SRCACLYHTR6CYP3A4CYP2C9
SCHEMBL675276 0.81 HTR6 (0.43) SRCACLYHTR6PPARGPPARA
SCHEMBL3664241 0.81 ACLY (0.43) SRCACLYHTR6PPARGPPARA
SCHEMBL13460984 0.81 ACLY (0.43) SRCACLYHTR6PPARGPPARA
SCHEMBL675466 0.81 ENPP3 (0.38) SRCACLYHTR6CYP3A4CYP2C9
SCHEMBL675829 0.80 SRC (0.45) SRCACLYHTR6PPARGPPARA
SCHEMBL675278 0.79 SRC (0.41) SRCACLYHTR6PPARGPPARA

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 5 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 claimed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US claimed
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 SRC 178/4885ACLY 3795/4885HTR6 4762/4885

“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.