SCHEMBL676050

SCHEMBL676050

O=C(NCCc1ccc2[nH]c3nc(-c4ccc(CN5CCOCC5)cc4)ccc3c2c1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HPGDS O60760 2/20 0.48
ALDH1A1 P00352 4/20 0.48
KCNH2 Q12809 1/20 0.46
HPGD P15428 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
HDAC1 Q13547 2/20 0.44
GAA P10253 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PARP1 P09874 1/20 0.43

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
SCHEMBL676446 0.86 MEN1 (0.45) KMT2AHIF1A
SCHEMBL675264 0.85 CHEK1 (0.56) KDM4ENPC1RAB9AHPGDSALDH1A1
SCHEMBL676518 0.83 ALK (0.48) KDM4ENPC1RAB9AHPGDSALDH1A1
SCHEMBL675532 0.82 BACE1 (0.47) KDM4EHPGDSALDH1A1HDAC1GAA
SCHEMBL674656 0.81 MAPT (0.52) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL675719 0.80 JAK2 (0.57) NPC1RAB9AHDAC1HDAC3HDAC2
SCHEMBL676445 0.79 MMP2 (0.42) KDM4ERAB9AALDH1A1HPGDLMNA
SCHEMBL675502 0.77 RAB9A (0.47) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL675853 0.77 ALDH1A1 (0.51) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL698444 0.76 SMN1; SMN2 (0.54) NPC1RAB9AALDH1A1HPGDSMN1; SMN2

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 3 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-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 KDM4E 2789/4885NPC1 239/4885RAB9A 2539/4885

“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.