SCHEMBL676195

SCHEMBL676195

C=C(c1ccccc1)c1cnc2[nH]c3ccc(-c4ccc(OC)cc4)cc3c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.48
BCHE P06276 1/20 0.42
PRKAG1 P54619 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP13 P45452 2/20 0.40
MMP8 P22894 1/20 0.40
CDK7 P50613 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRA6 Q16445 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL3399361 0.87 ALK (0.43) ALKBCHEPRKAG1PRKAA1PRKAB1
SCHEMBL675816 0.83 HRH3 (0.42) BCHEKDM4EMEN1MAPTKMT2A
SCHEMBL675814 0.78 GABRP (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL676194 0.78 ALK (0.67) ALKBCHEPRKAG1PRKAA1PRKAB1
SCHEMBL678727 0.78 ALK (0.67) ALKBCHEPRKAG1PRKAA1PRKAB1
SCHEMBL675220 0.78 ALK (0.48) ALKPRKAG1PRKAA1PRKAB1KDM4E
SCHEMBL676049 0.76 MMP2 (0.53) ALKMMP2MMP9MMP13MMP8
SCHEMBL674541 0.76 CHEK1 (0.57) ALK
SCHEMBL676282 0.75 MAPT (0.45) MEN1MAPTKMT2A
SCHEMBL676357 0.74 KIT (0.65) ALKMEN1HPGDKMT2A

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 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
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-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 1/4885BCHE 2019/4885PRKAG1 473/4885

“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.