SCHEMBL676481

SCHEMBL676481

CCCCCc1cc(N)c2c(n1)[nH]c1ccc(-c3ccc(OC)cc3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
ALK Q9UM73 3/20 0.43
CCNB2 O95067 2/20 0.42
CDK1 P06493 2/20 0.42
CCNB1 P14635 2/20 0.42
GSK3A P49840 2/20 0.42
GSK3B P49841 2/20 0.42
CCNB3 Q8WWL7 2/20 0.42
EGFR P00533 3/20 0.42
GHSR Q92847 1/20 0.42
MAOA P21397 1/20 0.41
ACHE P22303 1/20 0.41
MAOB P27338 1/20 0.41
BACE1 P56817 1/20 0.41
TLR8 Q9NR97 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL675732 0.88 KDM4E (0.43) ALKGSK3AGSK3BEGFRTLR8
SCHEMBL675010 0.88 ALK (0.43) HRH2HRH3ALKCCNB2CDK1
SCHEMBL3722600 0.85 AGER (0.40) HRH3ACHE
SCHEMBL3724896 0.84 CCNB2 (0.44) HRH2HRH3ALKCCNB2CDK1
SCHEMBL674976 0.82 DRD3 (0.43) ALKTLR8
SCHEMBL675725 0.81 CCNB2 (0.42) HRH2HRH3ALKCCNB2CDK1
SCHEMBL677070 0.79 CNR2 (0.42) HRH3CCNE1CDK2
SCHEMBL674940 0.79 CCNB2 (0.42) HRH2HRH3ALKCCNB2CDK1
SCHEMBL3719653 0.78 ALK (0.54) ALKCCNB2CDK1CCNB1GSK3A
SCHEMBL675459 0.78 JAK2 (0.52) HRH3ALKACHETLR8

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 HRH2 1972/4885HRH3 485/4885ALK 1/4885

“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.