SCHEMBL676049

SCHEMBL676049

COc1ccc(-c2cnc3[nH]c4ccccc4c3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.53
MMP9 P14780 2/20 0.53
MMP13 P45452 2/20 0.53
MMP8 P22894 1/20 0.53
KDM4E B2RXH2 4/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALK Q9UM73 1/20 0.49
KIT P10721 2/20 0.49
PTK6 Q13882 1/20 0.48
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47

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
SCHEMBL675310 0.85 CHEK1 (0.51) MMP2MMP9MMP13MMP8KMT2A
SCHEMBL678718 0.84 MMP2 (0.50) MMP2MMP9MMP13MMP8KDM4E
SCHEMBL6517572 0.84 PARP1 (0.50) MMP2MMP9MMP13MMP8KDM4E
SCHEMBL17563213 0.84 CHEK1 (0.53) MMP2MMP9MMP13MMP8KDM4E
SCHEMBL676357 0.81 KIT (0.65) HPGDKMT2AMEN1ALKKIT
SCHEMBL675220 0.80 ALK (0.48) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL21375573 0.79 KDM4E (0.75) MMP2MMP9MMP13MMP8KDM4E
SCHEMBL12666270 0.79 CHEK1 (0.71)
SCHEMBL678727 0.78 ALK (0.67) MMP2MMP9MMP13MMP8ALK
SCHEMBL676194 0.78 ALK (0.67) MMP2MMP9MMP13MMP8ALK

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 6 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
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 2741/4885MMP9 3358/4885MMP13 3232/4885

“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.