SCHEMBL675112

SCHEMBL675112

c1coc(-c2cnc3[nH]c4ccccc4c3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.52
MMP13 P45452 3/20 0.52
MMP9 P14780 2/20 0.48
MMP8 P22894 2/20 0.48
AXL P30530 1/20 0.48
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
ADORA3 P0DMS8 1/20 0.45
PDPK1 O15530 1/20 0.42
CHEK1 O14757 4/20 0.41
GABRA1 P14867 6/20 0.41
GABRG2 P18507 6/20 0.41
GABRB3 P28472 6/20 0.41
GABRA5 P31644 6/20 0.41
GABRA3 P34903 6/20 0.41
GABRA2 P47869 6/20 0.41
GABRA6 Q16445 6/20 0.41
GABRA4 P48169 5/20 0.41
GABRP O00591 4/20 0.41
GABRD O14764 4/20 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
SCHEMBL13572647 0.82 AXL (0.46) MMP2MMP13AXLPDPK1CHEK1
SCHEMBL12666296 0.80 CHEK1 (0.67) CHEK1
SCHEMBL676503 0.80 GABRA1 (0.49) MMP2MMP13AXLADORA3CHEK1
SCHEMBL17563213 0.79 CHEK1 (0.53) MMP2MMP13MMP9MMP8AXL
SCHEMBL29503092 0.77 CTSV (0.53) MMP2MMP13MMP9MMP8CTSV
SCHEMBL675310 0.77 CHEK1 (0.51) MMP2MMP13MMP9MMP8AXL
SCHEMBL678718 0.74 MMP2 (0.50) MMP2MMP13MMP9MMP8AXL
SCHEMBL674512 0.72 GABRP (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16257468 0.71 NR1I3 (0.50) ADORA3CHEK1
SCHEMBL676130 0.71 CA5A (0.51) MMP2MMP13CTSVCTSLADORA3

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 9 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-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
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 MMP2 2741/4885MMP13 3232/4885MMP9 3358/4885

“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.