SCHEMBL676547

SCHEMBL676547

O=C(O)c1ccc2[nH]c3ncccc3c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.55
GSK3A P49840 1/20 0.55
CDK5 Q00535 1/20 0.55
CDK5R1 Q15078 1/20 0.55
CHEK1 O14757 1/20 0.51
CAMKK2 Q96RR4 1/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
THRB P10828 1/20 0.49
HPGD P15428 1/20 0.49
KIF11 P52732 1/20 0.46
PARP1 P09874 3/20 0.45
AURKA O14965 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
PPARG P37231 1/20 0.45
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44

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
SCHEMBL677456 0.87 ALK (0.47) GSK3BGSK3ACDK5CDK5R1CHEK1
SCHEMBL676505 0.87 RIPK1 (0.50) GSK3BGSK3ACDK5CDK5R1CHEK1
SCHEMBL675383 0.87 ERBB2 (0.55) GSK3BGSK3ACDK5CDK5R1CHEK1
SCHEMBL5436301 0.84 KIF11 (0.56) GSK3BKDM4EALDH1A1HPGDKIF11
SCHEMBL678627 0.84 CYP1A2 (0.50) GSK3BGSK3ACDK5CDK5R1CHEK1
SCHEMBL675148 0.83 MEN1 (0.44) GSK3BGSK3ACDK5CDK5R1CHEK1
SCHEMBL676206 0.82 MEN1 (0.46) CHEK1KDM4EALDH1A1HPGDKIF11
SCHEMBL677968 0.81 MAPT (0.46) GSK3BGSK3ACDK5CDK5R1CHEK1
SCHEMBL30410223 0.80 KDM4E (0.50) GSK3BGSK3ACDK5CDK5R1KDM4E
SCHEMBL13596783 0.80 KDM4E (0.68) GSK3BCDK5KDM4EALDH1A1HPGD

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 5 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
CN-102203092-A Alfa-carboline inhibitors of npm-alk, ret, and bcr-abl UNIV DEGLI STUDI MILANO 2011-09-28 CN 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 GSK3B 104/4885GSK3A 131/4885CDK5 2731/4885

“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.