SCHEMBL677456

SCHEMBL677456

O=C(c1ccccc1)c1ccc2[nH]c3ncccc3c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.47
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
AURKA O14965 1/20 0.45
PARP1 P09874 1/20 0.45
CHEK1 O14757 1/20 0.45
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
NPC1 O15118 2/20 0.44
POLB P06746 1/20 0.44
ABL1 P00519 1/20 0.44
FABP6 P51161 1/20 0.44
DHODH Q02127 3/20 0.43
ADORA2A P29274 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
SCHEMBL676547 0.87 GSK3B (0.55) ALDH1A1HPGDKDM4EAURKAPARP1
SCHEMBL676505 0.83 RIPK1 (0.50) ALDH1A1HPGDKDM4EAURKAPARP1
SCHEMBL675383 0.83 ERBB2 (0.55) RAB9AALDH1A1SMN1; SMN2KDM4EAURKA
SCHEMBL674851 0.81 MAP2 (0.49) RAB9AALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL5436301 0.81 KIF11 (0.56) RAB9AALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL11069044 0.81 ALDH1A1 (0.57) RAB9AALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL676137 0.80 AURKA (0.50) ALKRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL679347 0.80 BRD4 (0.67) RAB9AALDH1A1SMN1; SMN2KDM4EAURKA
SCHEMBL678627 0.80 CYP1A2 (0.50) RAB9AALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL675148 0.80 MEN1 (0.44) RAB9AALDH1A1HPGDSMN1; SMN2KDM4E

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 4 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
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

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 1/4885RAB9A 2539/4885ALDH1A1 749/4885

“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.