SCHEMBL678677

SCHEMBL678677

COc1ccc(-c2ccc3[nH]c4ncccc4c3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.58
CCNB2 O95067 3/20 0.53
CDK1 P06493 3/20 0.53
CCNB1 P14635 3/20 0.53
CCNB3 Q8WWL7 3/20 0.53
RIPK1 Q13546 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
BCHE P06276 1/20 0.48
PTK6 Q13882 1/20 0.48
CHEK1 O14757 1/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 1/20 0.48
AURKA O14965 1/20 0.47
ACHE P22303 1/20 0.47
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL31451631 0.88 MEN1 (0.61) CCNB2CDK1CCNB1CCNB3RIPK1
SCHEMBL679074 0.84 MEN1 (0.53) ALKMEN1KMT2ACHEK1MAPT
SCHEMBL12093381 0.84 ADORA2A (0.51) ALKMEN1KMT2ABCHECHEK1
SCHEMBL6517914 0.83 PARP1 (0.56) ALKCCNB2CDK1CCNB1CCNB3
SCHEMBL679102 0.81 RIPK1 (0.52) ALKCCNB2CDK1CCNB1CCNB3
SCHEMBL3363620 0.80 KDM4E (0.70) ALKMEN1KMT2ABCHEMAPT
SCHEMBL12286667 0.80 DYRK1A (0.55) CCNB2CDK1CCNB1CCNB3RIPK1
SCHEMBL675220 0.80 ALK (0.48) ALKMEN1KMT2ACHEK1MAPT
SCHEMBL21375573 0.79 KDM4E (0.75) ALKMEN1KMT2ABCHEMAPT
SCHEMBL3668987 0.78 ALK (0.61) ALKCCNB2CDK1CCNB1CCNB3

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-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
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 ALK 1/4885CCNB2 1329/4885CDK1 1141/4885

“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.