SCHEMBL674634

SCHEMBL674634

O=S(=O)(c1ccccc1)n1c2ccc(C#CC3=CCCCC3)cc2c2c(Cl)ccnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
GRM5 P41594 3/20 0.36
CYP1A2 P05177 2/20 0.36
HTR6 P50406 2/20 0.35
FFAR1 O14842 1/20 0.34
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
GRM4 Q14833 1/20 0.30
FFAR2 O15552 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL676525 0.86 GRM4 (0.39) GRM5ALDH1A1KDM4EGAAPKM
SCHEMBL675772 0.84 NPC1 (0.46) NPC1RAB9AATMGRM5CYP1A2
SCHEMBL675860 0.83 NPC1 (0.46) NPC1RAB9AATMGRM5CYP1A2
SCHEMBL676809 0.80 PAX8 (0.40) NPC1RAB9AGRM5CYP1A2HTR6
SCHEMBL676265 0.78 PTGDR2 (0.35) NPC1RAB9AHTR6ALDH1A1KDM4E
SCHEMBL675382 0.74 HTR6 (0.43) HTR6ALDH1A1KDM4EGAAPKM
SCHEMBL3662668 0.74 HTR6 (0.42) HTR6ALDH1A1KDM4EGAAPKM
SCHEMBL3427912 0.72 NPC1 (0.37) NPC1RAB9AATMHTR6
SCHEMBL675465 0.72 IP6K1 (0.38) HTR6ALDH1A1KDM4EGAAPKM
SCHEMBL678731 0.72 IP6K1 (0.38) HTR6ALDH1A1KDM4EGAAPKM

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 NPC1 239/4885RAB9A 2539/4885ATM 359/4885

“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.