SCHEMBL676841

SCHEMBL676841

O=[N+]([O-])c1cccc(-c2ccnc3[nH]c4ccccc4c23)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK6 Q13882 5/20 0.66
IDO1 P14902 2/20 0.61
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ERBB2 P04626 4/20 0.50
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CCNA1 P78396 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
GUSB P08236 1/20 0.46
EGFR P00533 3/20 0.45
IGF1R P08069 2/20 0.45

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
SCHEMBL675486 0.80 PTK6 (1.00) PTK6KMT2AERBB2POLBEGFR
SCHEMBL16257469 0.78 LRRK2 (0.53) PTK6ERBB2EGFRMAPK14AURKA
SCHEMBL16024047 0.78 ERBB2 (0.61) PTK6ERBB2CCNB2CDK1CCNB1
SCHEMBL16011993 0.78 MAPK14 (0.48) PTK6ERBB2NPC1EGFRMAPK14
SCHEMBL676173 0.78 ALDH1A1 (0.53) PTK6MEN1KMT2AERBB2NPC1
SCHEMBL675439 0.77 IDO1 (0.59) PTK6IDO1MEN1KMT2ANPC1
SCHEMBL23967926 0.76 PTK6 (0.49) PTK6ERBB2EGFRMAPK14AURKA
SCHEMBL17471213 0.76 PTK6 (0.49) PTK6ERBB2EGFRMAPK14AURKA
SCHEMBL10263111 0.76 NUDT1 (0.61) IDO1MEN1KMT2AIGF1RPLK1
SCHEMBL674288 0.76 MAPK14 (0.60) PTK6ERBB2POLBIGF1RMAPK14

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 8 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
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 PTK6 2466/4885IDO1 2728/4885MEN1 1324/4885

“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.