SCHEMBL676109

SCHEMBL676109

C=C(c1ccc2c(c1)c1ccc(C(=C)c3ccccc3F)nc1n2S(=O)(=O)c1ccccc1)c1ccccc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.37
PTGDR Q13258 2/20 0.37
SRC P12931 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 1/20 0.36
TNFSF11 O14788 1/20 0.33
ACLY P53396 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
KAT6A Q92794 1/20 0.32
SCN2B O60939 1/20 0.32
SCN1B Q07699 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
BRD4 O60885 1/20 0.31

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
SCHEMBL675182 0.89 PTGDR (0.36) PTGDR2PTGDRSRCCYP3A4CYP2C9
SCHEMBL3667603 0.86 SRC (0.40) PTGDR2PTGDRSRCCYP3A4CYP2C9
SCHEMBL3728168 0.83 PSEN1 (0.36) PTGDR2PTGDRSRCCYP3A4CYP2C9
SCHEMBL675452 0.81 SRC (0.37) PTGDR2PTGDRSRCCYP3A4CYP2C9
SCHEMBL674879 0.80 PTGDR2 (0.37) PTGDR2PTGDRSRCCYP3A4CYP2C9
SCHEMBL675759 0.79 PTGDR2 (0.37) PTGDR2PTGDRSRCCYP3A4CYP2C9
SCHEMBL3665214 0.78 HDAC3 (0.42) CYP3A4CYP2C9CYP2C19KMT2AMEN1
SCHEMBL675913 0.76 SRC (0.40) PTGDR2PTGDRSRCCYP3A4CYP2C9
SCHEMBL3726814 0.73 PSEN1 (0.36) PTGDR2PTGDRCYP3A4CYP2C9CYP2C19
SCHEMBL676123 0.72 KAT6A (0.41) KMT2AMEN1KAT6AMAPTPOLB

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 PTGDR2 3291/4885PTGDR 2786/4885SRC 178/4885

“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.