SCHEMBL676859

SCHEMBL676859

O=S(=O)(c1ccccc1)n1c2ccc(-c3ccc(-c4ccccc4)cc3)cc2c2c(-c3ccc(-c4ccccc4)cc3)ccnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.43
PIK3CA P42336 1/20 0.41
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
SRC P12931 1/20 0.38
CCNA2 P20248 4/20 0.38
CDK2 P24941 4/20 0.38
ALK Q9UM73 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
TTK P33981 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
CDK7 P50613 1/20 0.36

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
SCHEMBL675809 0.90 CCNA2 (0.46) HTR6PIK3CAPSEN1PSEN2APH1B
SCHEMBL674219 0.89 MEN1 (0.46) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL3662668 0.87 HTR6 (0.42) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL13461110 0.87 CCNA2 (0.43) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL3666429 0.83 PIK3CA (0.44) PIK3CA
SCHEMBL676831 0.82 ALDH1A1 (0.38) HTR6SRCALKPIK3C3PTGDR2
SCHEMBL675896 0.81 SRC (0.40) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL674218 0.80 ALDH1A1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3722375 0.80 PSEN1 (0.39) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL677032 0.78 HTR6 (0.42) HTR6PIK3CAPSEN1PSEN2APH1B

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 HTR6 4762/4885PIK3CA 1855/4885PSEN1 1041/4885

“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.