SCHEMBL676193

SCHEMBL676193

O=S(=O)(c1ccccc1)n1c2ccc(C#Cc3ccccc3)cc2c2ccc(Cl)nc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.39
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
GRM5 P41594 3/20 0.36
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
PTGES O14684 3/20 0.35
ALOX5 P09917 3/20 0.35
CXCL8 P10145 1/20 0.34
NOD1 Q9Y239 1/20 0.34
ASIC3 Q9UHC3 1/20 0.34
HTR6 P50406 2/20 0.34
GRM4 Q14833 1/20 0.34
DCTPP1 Q9H773 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL676233 0.87 SRC (0.34) SRCPPARGPPARDPPARAHTR6
SCHEMBL675860 0.85 NPC1 (0.46) SRCGRM5HTR6DCTPP1
SCHEMBL676169 0.85 PAX8 (0.40) SRCHTR6CNR2
SCHEMBL675280 0.82 HTR6 (0.44) SRCPPARGPPARDPPARACXCL8
SCHEMBL3668236 0.82 HTR6 (0.46) SRCCA12CA2CA9PPARG
SCHEMBL675846 0.81 SRC (0.40) SRCCA12CA1CA2CA9
SCHEMBL674753 0.80 TP53 (0.40) SRCPPARGPPARDPPARACXCL8
SCHEMBL678710 0.80 TP53 (0.40) SRCPPARGPPARDPPARACXCL8
SCHEMBL675472 0.79 SRC (0.43) SRCCA12CA2CA9PPARG
SCHEMBL676525 0.79 GRM4 (0.39) SRCCA12CA1CA2CA9

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 SRC 178/4885CA12 2471/4885CA1 3934/4885

“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.