SCHEMBL676823

SCHEMBL676823

Clc1ccc2c(n1)[nH]c1ccc(C=Cc3ccccc3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
PKM P14618 3/20 0.44
LMNA P02545 2/20 0.44
GMNN O75496 1/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
ADORA2A P29274 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
HSD17B10 Q99714 1/20 0.44
IP6K1 Q92551 3/20 0.43
CA5A P35218 1/20 0.41
ALK Q9UM73 3/20 0.41
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 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
SCHEMBL679240 1.00 KDM4E (0.44) KDM4EPKMLMNAGMNNCYP1A2
SCHEMBL675227 0.87 NFE2L2 (0.45) ALKTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL676476 0.84 IP6K1 (0.44) KDM4EPKMLMNACYP1A2TSHR
SCHEMBL3666122 0.84 RELA (0.45) KDM4ELMNACYP1A2TSHRCYP2C19
SCHEMBL675608 0.81 KIF11 (0.51) KDM4EPKMLMNAGMNNCYP1A2
SCHEMBL698441 0.80 IP6K1 (0.40) KDM4EPKMIP6K1CA5AALK
SCHEMBL678867 0.80 IP6K1 (0.40) KDM4EPKMIP6K1CA5AALK
SCHEMBL675919 0.78 KDM4E (0.54) KDM4EPKMLMNAGMNNCYP1A2
SCHEMBL11250289 0.78 KIF11 (0.56) KDM4ECYP1A2IP6K1ALKRELA
SCHEMBL11250285 0.78 KIF11 (0.56) KDM4ECYP1A2IP6K1ALKRELA

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 6 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 claimed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US claimed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP claimed
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 KDM4E 2789/4885PKM 858/4885LMNA 1863/4885

“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.