SCHEMBL675870

SCHEMBL675870

COc1ccc(CNC(=O)CCC(=O)c2ccc3[nH]c4nc(Cl)ccc4c3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.49
KMT2A Q03164 8/20 0.49
POLB P06746 2/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
TP53 P04637 1/20 0.46
ADRB2 P07550 1/20 0.44
GSK3B P49841 2/20 0.44
CYP2C9 P11712 3/20 0.42
CYP3A4 P08684 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41

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
SCHEMBL676314 0.85 KMT2A (0.48) MEN1KMT2APOLBCTDSP1TDP1
SCHEMBL3720222 0.84 MAPT (0.46) MEN1KMT2APOLBCTDSP1TDP1
SCHEMBL3724387 0.83 TP53 (0.45) MEN1KMT2APOLBCTDSP1TDP1
SCHEMBL675230 0.83 MEN1 (0.47) MEN1KMT2APOLBCTDSP1TDP1
SCHEMBL3727415 0.82 MEN1 (0.44) MEN1KMT2APOLBCTDSP1TDP1
SCHEMBL3724393 0.82 MEN1 (0.43) MEN1KMT2APOLBCTDSP1TDP1
SCHEMBL3724384 0.82 MEN1 (0.43) MEN1KMT2APOLBCTDSP1TDP1
SCHEMBL3724370 0.82 MEN1 (0.43) MEN1KMT2APOLBCTDSP1TDP1
SCHEMBL675635 0.81 CNR1 (0.52) MEN1KMT2APOLBCTDSP1TDP1
SCHEMBL675634 0.81 CNR1 (0.52) MEN1KMT2APOLBCTDSP1TDP1

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 4 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
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 MEN1 1324/4885KMT2A 492/4885POLB 2689/4885

“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.