SCHEMBL676525

SCHEMBL676525

O=S(=O)(c1ccccc1)n1c2ccc(C#Cc3ccccc3)cc2c2c(Cl)ccnc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 8/20 0.39
GRM5 P41594 2/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
PTGES O14684 3/20 0.36
ALOX5 P09917 3/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 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
SRC P12931 1/20 0.35
IP6K1 Q92551 1/20 0.34
IP6K3 Q96PC2 1/20 0.34
IP6K2 Q9UHH9 1/20 0.34

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
SCHEMBL676265 0.87 PTGDR2 (0.35) GRM4ENPP3ENPP1KDM4EALDH1A1
SCHEMBL674634 0.86 NPC1 (0.46) GRM4GRM5ENPP3ENPP1KDM4E
SCHEMBL676809 0.85 PAX8 (0.40) GRM5ENPP3ENPP1KDM4EALDH1A1
SCHEMBL3662668 0.83 HTR6 (0.42) ENPP3ENPP1KDM4EALDH1A1GAA
SCHEMBL675382 0.83 HTR6 (0.43) ENPP3ENPP1KDM4EALDH1A1GAA
SCHEMBL675846 0.80 SRC (0.40) GRM4GRM5CA12CA1CA2
SCHEMBL678731 0.80 IP6K1 (0.38) ENPP3ENPP1KDM4EALDH1A1GAA
SCHEMBL675465 0.80 IP6K1 (0.38) ENPP3ENPP1KDM4EALDH1A1GAA
SCHEMBL675896 0.79 SRC (0.40) ENPP3ENPP1KDM4EALDH1A1GAA
SCHEMBL676193 0.79 SRC (0.39) GRM4GRM5CA12CA1CA2

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 GRM4 3998/4885GRM5 3229/4885CA12 2471/4885

“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.