SCHEMBL674726

SCHEMBL674726

CCN(CC)CCCOc1ccc(-c2ccc3[nH]c4nc(Cl)ccc4c3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.46
KDM4E B2RXH2 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
ESR1 P03372 2/20 0.41
KDR P35968 1/20 0.41
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41
ATP4A P20648 1/20 0.41
ATP4B P51164 1/20 0.41
PTPN1 P18031 1/20 0.40
AGER Q15109 3/20 0.40
CHEK1 O14757 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL675184 0.89 LSS (0.46) ACHEKDM4E
SCHEMBL675132 0.84 ACHE (0.47) ACHEKDM4EHRH3DRD2DRD3
SCHEMBL3433146 0.84 ATP4A (0.41) ACHEHRH3DRD2DRD3ATP4A
SCHEMBL3426129 0.82 DRD2 (0.39) ACHEHRH3DRD2DRD3ATP4A
SCHEMBL675823 0.81 ALK (0.51) ACHEKDM4EHRH3FGFR1SRC
SCHEMBL3426126 0.81 HRH3 (0.40) ACHEHRH3DRD2DRD3ATP4A
SCHEMBL3423190 0.81 HRH3 (0.40) ACHEHRH3DRD2DRD3KDR
SCHEMBL3426135 0.80 HRH3 (0.39) ACHEHRH3DRD2DRD3ATP4A
SCHEMBL676530 0.80 ATP4A (0.38) ACHEHRH3DRD2DRD3ESR1
SCHEMBL3722601 0.80 HRH3 (0.41) ACHEHRH3DRD2DRD3ATP4A

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 ACHE 2545/4885KDM4E 2789/4885HRH3 485/4885

“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.