SCHEMBL676235

SCHEMBL676235

Clc1cnc2[nH]c3ccc(-c4ccc(-c5ccccc5)cc4)cc3c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.52
MAP2 P11137 2/20 0.51
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
CSF1R P07333 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CASP1 P29466 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GABRA1 P14867 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43

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
SCHEMBL13460985 1.00 JAK2 (0.52) JAK2MAP2GRIN2DGRIN3BGRIN1
SCHEMBL678785 0.87 DYRK1A (0.44) MAP2CHEK1CLK1DYRK1ADYRK2
SCHEMBL4414274 0.84 BCHE (0.50) JAK2KDM4EHSD17B10GABRA1GABRG2
SCHEMBL675220 0.83 ALK (0.48) MAP2CSF1RMEN1KMT2AKDM4E
SCHEMBL15873503 0.82 CHUK (0.54) JAK2MAP2CSF1RMEN1KMT2A
SCHEMBL27841156 0.81 MAP2 (0.40) JAK2MAP2GRIN2DGRIN3BGRIN1
SCHEMBL674243 0.81 GABRA1 (0.47) MEN1KMT2AKDM4EGABRA1GABRG2
SCHEMBL674512 0.80 GABRP (0.54) JAK2MAP2KMT2AHSD17B10GABRA1
SCHEMBL25583541 0.80 MEN1 (0.58) MAP2CSF1RMEN1KMT2AKDM4E
SCHEMBL25617626 0.80 MEN1 (0.58) MAP2CSF1RMEN1KMT2AKDM4E

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 JAK2 201/4885MAP2 962/4885GRIN2D 4133/4885

“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.