SCHEMBL679106

SCHEMBL679106

O=S(=O)(c1ccccc1)n1c2ccc(-c3ccc(O)cc3)cc2c2cccnc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.48
PTGDR2 Q9Y5Y4 8/20 0.47
HTR6 P50406 3/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MMP2 P08253 1/20 0.38
CCKAR P32238 1/20 0.38
MET P08581 1/20 0.37

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
SCHEMBL678662 0.85 PTGDR2 (0.53) PTGDR2HTR6PSEN1PSEN2APH1B
SCHEMBL675896 0.83 SRC (0.40) SRCPTGDR2HTR6PSEN1PSEN2
SCHEMBL675829 0.83 SRC (0.45) SRCHTR6PSEN1PSEN2APH1B
SCHEMBL675472 0.82 SRC (0.43) SRCHTR6PSEN1PSEN2APH1B
SCHEMBL12093384 0.81 PSEN1 (0.41) SRCPTGDR2HTR6PSEN1PSEN2
SCHEMBL675512 0.81 PTGDR2 (0.48) SRCPTGDR2HTR6CYP2C19RECQL
SCHEMBL678635 0.79 PTGDR2 (0.46) SRCPTGDR2HTR6CYP2C19RECQL
SCHEMBL676859 0.76 HTR6 (0.43) SRCPTGDR2HTR6PSEN1PSEN2
SCHEMBL678637 0.76 PTGDR2 (0.47) SRCPTGDR2HTR6CYP2C19CCKAR
SCHEMBL13460984 0.75 ACLY (0.43) SRCHTR6PSEN1PSEN2APH1B

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-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

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 178/4885PTGDR2 3291/4885HTR6 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.