SCHEMBL675896

SCHEMBL675896

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.40
HTR6 P50406 4/20 0.38
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.38
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.36
ACLY P53396 2/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL3662668 0.93 HTR6 (0.42) SRCHTR6ENPP3ENPP1PSEN1
SCHEMBL677032 0.86 HTR6 (0.42) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL3670473 0.85 PTGDR2 (0.42) SRCHTR6PSEN1PSEN2APH1B
SCHEMBL679106 0.83 SRC (0.48) SRCHTR6PSEN1PSEN2APH1B
SCHEMBL3664606 0.83 ALDH1A1 (0.37) SRCENPP3ENPP1ALDH1A1KDM4E
SCHEMBL23862998 0.83 PDPK1 (0.43) HTR6
SCHEMBL15375476 0.82 PIM1 (0.48) HTR6
SCHEMBL15375344 0.82 ALK (0.53) HTR6
SCHEMBL675382 0.82 HTR6 (0.43) SRCHTR6ENPP3ENPP1PTGDR2
SCHEMBL675621 0.81 PIK3CD (0.45) ALDH1A1KDM4EGAAMTORMAPT

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 4 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
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 SRC 178/4885HTR6 4762/4885ENPP3 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.