SCHEMBL675752

SCHEMBL675752

NCCCCCc1ccnc2[nH]c3ccc(C=Cc4cccc(F)c4)cc3c12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.45
MPO P05164 4/20 0.41
GRM4 Q14833 1/20 0.38
NFE2L2 Q16236 6/20 0.37
USP20 Q9Y2K6 1/20 0.37
CHEK1 O14757 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNA2 P20248 1/20 0.33
CCND1 P24385 1/20 0.33
CDK2 P24941 1/20 0.33
CCND3 P30281 1/20 0.33
NQO2 P16083 1/20 0.33
PTGS1 P23219 1/20 0.33

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
SCHEMBL676275 0.90 ALK (0.46) ALKMPO
SCHEMBL3725131 0.89 ALK (0.47) ALKGRM4NFE2L2USP20PTGS1
SCHEMBL675009 0.82 ALK (0.50) ALKCDK1
SCHEMBL675914 0.80 NFE2L2 (0.40) ALKMPOGRM4NFE2L2USP20
SCHEMBL675114 0.79 USP20 (0.40) ALKMPOGRM4NFE2L2USP20
SCHEMBL676184 0.78 ALK (0.64) ALKGRM4NFE2L2
SCHEMBL3727396 0.78 ALK (0.47) ALK
SCHEMBL3727398 0.78 ALK (0.47) ALK
SCHEMBL676839 0.77 ALK (0.51) ALKGRM4NFE2L2USP20NQO2
SCHEMBL675731 0.76 ALK (0.45) ALK

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 ALK 1/4885MPO 1433/4885GRM4 3998/4885

“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.