SCHEMBL676314

SCHEMBL676314

COc1ccc(CNC(=O)CCC(=O)c2ccc3[nH]c4ncc(Cl)cc4c3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
POLB P06746 2/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 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
SCHEMBL678805 0.89 GABRP (0.41) KMT2AMEN1AURKAAURKBPOLB
SCHEMBL3725125 0.86 CNR1 (0.45) KMT2AMEN1POLBCTDSP1TDP1
SCHEMBL675870 0.85 MEN1 (0.49) KMT2AMEN1POLBCTDSP1TDP1
SCHEMBL3727411 0.85 MEN1 (0.42) KMT2AMEN1POLBCTDSP1TDP1
SCHEMBL675230 0.84 MEN1 (0.47) KMT2AMEN1POLBCTDSP1TDP1
SCHEMBL3725522 0.83 CNR1 (0.52) KMT2AMEN1POLBCTDSP1CNR1
SCHEMBL3727408 0.83 MEN1 (0.41) KMT2AMEN1POLBCTDSP1TDP1
SCHEMBL3725521 0.83 CNR1 (0.52) KMT2AMEN1POLBCTDSP1CNR1
SCHEMBL3724389 0.78 MEN1 (0.44) KMT2AMEN1POLBCTDSP1TDP1
SCHEMBL675443 0.78 MAP2 (0.44) KMT2AALDH1A1KDM4ECYP2C19GSK3B

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 11 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
CN-102203092-A Alfa-carboline inhibitors of npm-alk, ret, and bcr-abl UNIV DEGLI STUDI MILANO 2011-09-28 CN 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-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
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 KMT2A 492/4885MEN1 1324/4885AURKA 1772/4885

“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.