SCHEMBL676806

SCHEMBL676806

Clc1ccc2c(n1)[nH]c1ccc(CCc3ccccc3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
ADORA1 P30542 1/20 0.44
CYP2C19 P33261 1/20 0.44
MTOR P42345 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
HIF1A Q16665 1/20 0.44
PTGES O14684 1/20 0.41
CA5A P35218 1/20 0.41
PPARG P37231 2/20 0.41
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39

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
SCHEMBL674810 0.81 HTR1A (0.42) LMNACYP1A2TSHRHIF1APTGES
SCHEMBL675502 0.81 RAB9A (0.47) KDM4ELMNANPC1RAB9AMEN1
SCHEMBL675919 0.78 KDM4E (0.54) ADORA2AKDM4EHSD17B10GMNNLMNA
SCHEMBL677767 0.78 JAK2 (0.43) PPARGTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL676267 0.77 TBK1 (0.36) SIRT2
SCHEMBL27841174 0.76 KDM4E (0.40) ADORA2AKDM4EHSD17B10GMNNLMNA
SCHEMBL27821853 0.76 SIRT2 (0.35) ADORA2AKDM4EHSD17B10GMNNLMNA
SCHEMBL675082 0.75 CA5A (0.68) ADORA2AKDM4EHSD17B10GMNNLMNA
SCHEMBL676917 0.75 KDM4E (0.44) ADORA2AKDM4EHSD17B10GMNNLMNA
SCHEMBL679240 0.75 KDM4E (0.44) ADORA2AKDM4EHSD17B10GMNNLMNA

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 4 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
WO-2010025872-A2 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2010-03-11 WO 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 ADORA2A 4167/4885KDM4E 2789/4885HSD17B10 2928/4885

“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.