SCHEMBL678662

SCHEMBL678662

COc1ccc(-c2ccc3c(c2)c2cccnc2n3S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.53
HTR6 P50406 6/20 0.49
KDR P35968 1/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
TSPO P30536 1/20 0.43
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41
GBA1 P04062 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CXCL8 P10145 1/20 0.41
NOD1 Q9Y239 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL679106 0.85 SRC (0.48) PTGDR2HTR6PSEN1PSEN2APH1B
SCHEMBL675809 0.85 CCNA2 (0.46) PTGDR2HTR6KDRPSEN1PSEN2
SCHEMBL677032 0.84 HTR6 (0.42) PTGDR2HTR6KDRPSEN1PSEN2
SCHEMBL674230 0.84 HTR6 (0.44) PTGDR2HTR6KDRPSEN1PSEN2
SCHEMBL675444 0.84 HTR6 (0.46) HTR6KDRPSEN1PSEN2APH1B
SCHEMBL675245 0.83 HTR6 (0.45) HTR6KDRPSEN1PSEN2APH1B
SCHEMBL13461110 0.82 CCNA2 (0.43) PTGDR2HTR6KDRPSEN1PSEN2
SCHEMBL678717 0.81 HTR6 (0.43) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL676946 0.80 ALK (0.56) PTGDR2HTR6KDRPOLBL3MBTL1
SCHEMBL678782 0.80 ALK (0.56) PTGDR2HTR6KDRPOLBL3MBTL1

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 6 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-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
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
WO-2010025872-A2 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2010-03-11 WO 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 3291/4885HTR6 4762/4885KDR 216/4885

“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.