SCHEMBL674852

SCHEMBL674852

Cc1ccc2c(n1)[nH]c1ccc(C(=O)CBr)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
KMT2A Q03164 2/20 0.43
KIF11 P52732 2/20 0.41
GSK3B P49841 2/20 0.41
PTPN1 P18031 1/20 0.40
PARP1 P09874 1/20 0.40
ADORA1 P30542 4/20 0.39
ADORA2A P29274 3/20 0.39
ALDH1A1 P00352 4/20 0.39
HCRTR1 O43613 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GNG2 P59768 1/20 0.38
GNB1 P62873 1/20 0.38
HPGD P15428 2/20 0.38
THRB P10828 1/20 0.38
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL676048 0.84 GSK3B (0.41) KDM4EKMT2AKIF11GSK3BPTPN1
SCHEMBL675071 0.83 KIF11 (0.58) KDM4EKMT2AKIF11ADORA1ADORA2A
SCHEMBL675470 0.83 KDM4E (0.55) KDM4EKMT2AKIF11ADORA1ADORA2A
SCHEMBL674720 0.80 TLR8 (0.49) KDM4EADORA1ADORA2AALDH1A1RAB9A
SCHEMBL675170 0.79 KDM4E (0.42) KDM4EKMT2AKIF11ALDH1A1HCRTR1
SCHEMBL675477 0.79 RAB9A (0.51) KDM4EKMT2AKIF11ADORA1ADORA2A
SCHEMBL675148 0.77 MEN1 (0.44) KDM4EKMT2AGSK3BPTPN1PARP1
SCHEMBL675713 0.77 TLR8 (0.46) KDM4EKMT2AKIF11ALDH1A1MAPT
SCHEMBL674907 0.74 GSK3B (0.44) KDM4EKMT2AGSK3BPTPN1PARP1
SCHEMBL6112676 0.71 HSP90AA1 (0.51) GSK3BPTPN1ALDH1A1RAB9ASMN1; SMN2

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 KDM4E 2789/4885KMT2A 492/4885KIF11 2832/4885

“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.