SCHEMBL676293

SCHEMBL676293

O=S(=O)(c1ccccc1)n1c2ccc(-c3ccc(CN4CCOCC4)cc3)cc2c2ccc(Cl)nc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
PIK3CD O00329 2/20 0.44
MTOR P42345 2/20 0.44
TSHR P16473 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
JAK2 O60674 1/20 0.42
HDAC1 Q13547 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CHEK1 O14757 2/20 0.40
MAPT P10636 1/20 0.39
ABCB1 P08183 1/20 0.38
HTR6 P50406 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3668206 0.91 PARP1 (0.45) NPC1RAB9AATMPIK3CDMTOR
SCHEMBL3728544 0.85 NPC1 (0.42) NPC1RAB9AATMPIK3CDMTOR
SCHEMBL677027 0.85 PIK3CD (0.47) NPC1RAB9AATMPIK3CDMTOR
SCHEMBL3668236 0.84 HTR6 (0.46) HTR6
SCHEMBL675621 0.83 PIK3CD (0.45) NPC1RAB9AATMPIK3CDMTOR
SCHEMBL3666429 0.81 PIK3CA (0.44) NPC1RAB9AATMPIK3CDMTOR
SCHEMBL675472 0.80 SRC (0.43) HTR6
SCHEMBL675050 0.80 PIK3CA (0.42) NPC1RAB9APIK3CDMTORTSHR
SCHEMBL675245 0.78 HTR6 (0.45) RAB9ATSHRALDH1A1MAPTHTR6
SCHEMBL3671386 0.77 NPC1 (0.43) NPC1RAB9AALDH1A1HTR6

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.