SCHEMBL675608

SCHEMBL675608

O=Cc1ccc2[nH]c3nc(Cl)ccc3c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.51
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GMNN O75496 1/20 0.40
CYP1A2 P05177 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CYP2C19 P33261 1/20 0.40
MTOR P42345 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
HIF1A Q16665 1/20 0.40
CYP2A6 P11509 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
CA5A P35218 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GRIN2D O15399 1/20 0.36

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
SCHEMBL676126 0.82 KIF11 (0.51) KIF11KDM4EADORA2AADORA1CYP2A6
SCHEMBL676823 0.81 KDM4E (0.44) KIF11LMNAKDM4EHSD17B10GMNN
SCHEMBL679240 0.81 KDM4E (0.44) KIF11LMNAKDM4EHSD17B10GMNN
SCHEMBL3666122 0.77 RELA (0.45) LMNAKDM4EHSD17B10CYP1A2TSHR
SCHEMBL675227 0.77 NFE2L2 (0.45)
SCHEMBL675640 0.76 PIM3 (0.45) LMNAKDM4EHSD17B10GMNNCYP1A2
SCHEMBL3394397 0.76 KDM4E (0.36) LMNAKDM4EHSD17B10GMNNCYP1A2
SCHEMBL6299735 0.76 KIF11 (0.81) KIF11KDM4EHSD17B10TSHRCYP2A6
SCHEMBL675117 0.76 KIF11 (0.51) KIF11LMNAKDM4EHSD17B10CYP2A6
SCHEMBL676197 0.75 KIF11 (0.48) KIF11LMNAKDM4EHSD17B10GMNN

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 KIF11 2832/4885LMNA 1863/4885KDM4E 2789/4885

“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.