SCHEMBL676201

SCHEMBL676201

NCCCCCc1ccc2c(n1)[nH]c1ccc(-c3ccc(-c4ccccc4)cc3)cc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.42
NPY5R Q15761 1/20 0.42
JAK2 O60674 2/20 0.38
HRH1 P35367 1/20 0.37
GHSR Q92847 5/20 0.37
CA5A P35218 1/20 0.36
PRMT5 O14744 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
FLT3 P36888 1/20 0.36
ALK Q9UM73 2/20 0.35
DHFR P00374 1/20 0.35
CHEK1 O14757 1/20 0.34
AXL P30530 1/20 0.34

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
SCHEMBL3722217 0.87 GABRP (0.42) ALKAXL
SCHEMBL674939 0.86 ALK (0.39) GHSRFLT3ALK
SCHEMBL674780 0.84 PGR (0.41) ALK
SCHEMBL675788 0.83 GABRA1 (0.39) HRH1ALKCHEK1
SCHEMBL675733 0.83 JAK2 (0.36) JAK2CA5ACDK4CCND1ALK
SCHEMBL675098 0.83 IP6K1 (0.36) HRH1CA5AALK
SCHEMBL3722837 0.81 PIM1 (0.43)
SCHEMBL675875 0.80 JAK2 (0.52) JAK2ALKCHEK1
SCHEMBL3426129 0.79 DRD2 (0.39) CHEK1
SCHEMBL677180 0.78 JAK2 (0.36) JAK2CA5ACDK4CCND1ALK

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 NPY1R 4025/4885NPY5R 4417/4885JAK2 201/4885

“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.