SCHEMBL675310

SCHEMBL675310

c1ccc(-c2ccc(-c3cnc4[nH]c5ccccc5c4c3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.51
AXL P30530 4/20 0.51
GSK3B P49841 3/20 0.51
GSK3A P49840 2/20 0.51
CDK8 P49336 2/20 0.51
TNIK Q9UKE5 1/20 0.51
PLK4 O00444 1/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
CDK1 P06493 1/20 0.51
LYN P07948 1/20 0.51
RET P07949 1/20 0.51
PIM1 P11309 1/20 0.51
FER P16591 1/20 0.51
CDK2 P24941 1/20 0.51
MARK3 P27448 1/20 0.51
FLT4 P35916 1/20 0.51
KDR P35968 1/20 0.51
FLT3 P36888 1/20 0.51
SYK P43405 1/20 0.51

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
SCHEMBL17563213 0.98 CHEK1 (0.53) CHEK1AXLGSK3BGSK3ACDK8
SCHEMBL678718 0.89 MMP2 (0.50) CHEK1AXLGSK3BGSK3ACDK8
SCHEMBL18137820 0.86 AXL (0.61) CHEK1AXLGSK3BGSK3ACDK8
SCHEMBL676049 0.85 MMP2 (0.53) CDK2MMP2MMP9MMP8MMP13
SCHEMBL16257468 0.83 NR1I3 (0.50) CHEK1CDK2TDO2
SCHEMBL676235 0.80 JAK2 (0.52) CHEK1AXLGSK3BGSK3ACDK8
SCHEMBL13460985 0.80 JAK2 (0.52) CHEK1AXLGSK3BGSK3ACDK8
SCHEMBL4414274 0.78 BCHE (0.50) AXLGABRA1GABRG2GABRB3GABRA5
SCHEMBL13572740 0.78 GSK3B (0.52) CHEK1AXLGSK3BGSK3ACDK8
SCHEMBL675439 0.78 IDO1 (0.59) GABRPGABRDGABRA1GABRB1GABRG2

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 9 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-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-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
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
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
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 CHEK1 1744/4885AXL 2259/4885GSK3B 104/4885

“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.