SCHEMBL676329

SCHEMBL676329

COc1cccc(Nc2cnc3[nH]c4ccc(CCc5ccccc5)cc4c3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1B Q9Y463 4/20 0.49
DYRK1A Q13627 3/20 0.47
PTK6 Q13882 2/20 0.45
ERBB2 P04626 1/20 0.45
CYP1A2 P05177 6/20 0.44
USP2 O75604 5/20 0.44
CYP2C9 P11712 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CASP1 P29466 4/20 0.44
CASP7 P55210 4/20 0.44
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 4/20 0.43
LMNA P02545 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL674901 0.83 DYRK1B (0.54) DYRK1BDYRK1APTK6ERBB2CYP1A2
SCHEMBL16241862 0.80 DYRK1B (0.45) DYRK1BDYRK1APTK6ERBB2CYP1A2
SCHEMBL677767 0.75 JAK2 (0.43) KDR
SCHEMBL678862 0.74 CHEK1 (0.50) KMT2AALOX15EGFRKDR
SCHEMBL678926 0.70 GRIN1 (0.44) DYRK1AMEN1KMT2AALDH1A1LMNA
SCHEMBL675516 0.70 EGFR (0.51) DYRK1BDYRK1APTK6ERBB2KMT2A
SCHEMBL29930702 0.69 DYRK1B (0.73) DYRK1BDYRK1APTK6TP53MAPT
SCHEMBL6810391 0.68 MEN1 (0.51) DYRK1BDYRK1APTK6ERBB2CYP1A2
SCHEMBL4060273 0.68 TAAR1 (0.69) IDO1
SCHEMBL917608 0.68 MTNR1B (0.65) MEN1KMT2AALDH1A1LMNAMAPK1

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 14 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
WO-2010025872-A2 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2010-03-11 WO 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-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
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 DYRK1B 2552/4885DYRK1A 2409/4885PTK6 2466/4885

“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.