SCHEMBL675283

SCHEMBL675283

COc1ccc(-c2ccc3c(n2)[nH]c2ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MAPT P10636 8/20 0.49
ADORA3 P0DMS8 1/20 0.49
HPGD P15428 3/20 0.49
CA5A P35218 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 2/20 0.48
PKM P14618 1/20 0.48
POLB P06746 1/20 0.46
PTK6 Q13882 1/20 0.46
ACACA Q13085 1/20 0.46

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
SCHEMBL676119 0.84 MAPT (0.48) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL678777 0.84 CA5A (0.53) KDM4ESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL31463339 0.83 CA5A (0.59) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL469192 0.83 CA5A (0.59) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL677993 0.80 EGFR (0.47) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL31232943 0.80 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL22268360 0.79 CA5A (0.54) ALDH1A1MAPTCA5AHSD17B10
SCHEMBL30941674 0.78 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL676190 0.77 CA5A (0.49) KDM4EALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL8836333 0.77 MAPK1 (0.51) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A

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 KDM4E 2789/4885ALDH1A1 749/4885SMN1; SMN2 3499/4885

“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.