SCHEMBL674288

SCHEMBL674288

c1ccc(-c2ccc(-c3ccnc4[nH]c5ccccc5c34)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.60
ALK Q9UM73 11/20 0.56
HTR2B P41595 1/20 0.50
HTR5A P47898 1/20 0.50
TDO2 P48775 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LRRK2 Q5S007 2/20 0.49
IKBKB O14920 1/20 0.49
CHUK O15111 1/20 0.49

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
SCHEMBL675430 0.88 ALK (0.70) MAPK14ALK
SCHEMBL674474 0.84 PTK6 (0.64) MAPK14ALKKDM4EALDH1A1LMNA
SCHEMBL16257469 0.81 LRRK2 (0.53) MAPK14ALKLRRK2ACVR1ERBB2
SCHEMBL16011993 0.81 MAPK14 (0.48) MAPK14ALKKDM4EALDH1A1HPGD
SCHEMBL16024047 0.81 ERBB2 (0.61) MAPK14ALKLRRK2ACVR1ERBB2
SCHEMBL17578392 0.80 MAPK14 (0.47) MAPK14ALKKDM4EALDH1A1LMNA
SCHEMBL12846620 0.79 AURKA (0.63) ALKMAPTLRRK2IKBKBCHUK
SCHEMBL17578476 0.79 PTK6 (0.51) MAPK14ALKACVR1AURKBERBB2
SCHEMBL23967926 0.79 PTK6 (0.49) MAPK14ALKACVR1ERBB2UTS2R
SCHEMBL17471213 0.79 PTK6 (0.49) MAPK14ALKACVR1ERBB2PTK6

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 MAPK14 3335/4885ALK 1/4885HTR2B 4007/4885

“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.