SCHEMBL676269

SCHEMBL676269

C=C(c1ccc2[nH]c3nc(C=CCCCCC)ccc3c2c1)c1ccccc1F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
DAGLA Q9Y4D2 1/20 0.31
MAPT P10636 2/20 0.30
HCRTR1 O43613 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LTB4R Q15722 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
SCHEMBL3722919 0.84 KDM4E (0.33) CYP2D6RAB9ANPC1MEN1KMT2A
SCHEMBL3721857 0.82 GABRP (0.35) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL675855 0.81 ALK (0.43)
SCHEMBL676306 0.77 MAPKAPK2 (0.38) CYP2D6KDM4EGAADAGLAMAPT
SCHEMBL675136 0.77 ALK (0.37) CYP2D6KDM4EDAGLALTB4R
SCHEMBL676307 0.77 MAPKAPK2 (0.38) CYP2D6KDM4EGAADAGLAMAPT
SCHEMBL675137 0.77 ALK (0.37) CYP2D6KDM4EDAGLALTB4R
SCHEMBL676244 0.76 CTNNB1 (0.34) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL676502 0.76 LTB4R (0.43) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL676501 0.76 LTB4R (0.43) MEN1KMT2AKDM4EALDH1A1GAA

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 CYP2D6 4105/4885RAB9A 2539/4885NPC1 239/4885

“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.