SCHEMBL675054

SCHEMBL675054

O=S(=O)(c1ccccc1)n1c2ccc(-c3ccc(N4CCOCC4)cn3)cc2c2c(Cl)ccnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.42
PIK3CD O00329 6/20 0.42
PIK3CB P42338 5/20 0.42
PIK3CG P48736 5/20 0.42
AKT1 P31749 3/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MTOR P42345 3/20 0.38
PRKDC P78527 1/20 0.37
KCNH2 Q12809 1/20 0.37
BMPR1B O00238 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
PDGFRA P16234 1/20 0.37
BMPR1A P36894 1/20 0.37
ACVR1B P36896 1/20 0.37
TGFBR1 P36897 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
SCHEMBL3669202 0.90 ACVR1B (0.41) PIK3CAPIK3CDPIK3CBPIK3CGAKT1
SCHEMBL675440 0.85 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBPIK3CGAKT1
SCHEMBL675050 0.84 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBPIK3CGAKT1
SCHEMBL3434703 0.84 NOD2 (0.37) PIK3CAPIK3CDPIK3CBPIK3CGAKT1
SCHEMBL3668320 0.83 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBPIK3CGAKT1
SCHEMBL15375344 0.82 ALK (0.53)
SCHEMBL15375476 0.82 PIM1 (0.48)
SCHEMBL675621 0.81 PIK3CD (0.45) PIK3CAPIK3CDTSHRKDM4EALDH1A1
SCHEMBL3662668 0.79 HTR6 (0.42) PKMKDM4EALDH1A1MEN1GAA
SCHEMBL17289679 0.78 CDC7 (0.48) PIK3CAPIK3CDPIK3CBPIK3CGAKT1

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 2 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

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 PIK3CA 1855/4885PIK3CD 1587/4885PIK3CB 1842/4885

“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.