SCHEMBL676436

SCHEMBL676436

CCCCC/C=C/c1ccc2c(n1)[nH]c1ccc(/C=C/c3ccc(OC)cc3)cc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.39
ALK Q9UM73 2/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CNR1 P21554 5/20 0.37
CNR2 P34972 3/20 0.37
GHSR Q92847 1/20 0.36
FLT3 P36888 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL676437 1.00 AHR (0.39) AHRALKNPC1RAB9AMEN1
SCHEMBL677169 0.90 ALK (0.42) ALKNPC1RAB9AMEN1KMT2A
SCHEMBL677168 0.90 ALK (0.42) ALKNPC1RAB9AMEN1KMT2A
SCHEMBL676307 0.89 MAPKAPK2 (0.38) ALKSMN1; SMN2CYP1A2CNR2KDM4E
SCHEMBL676306 0.89 MAPKAPK2 (0.38) ALKSMN1; SMN2CYP1A2CNR2KDM4E
SCHEMBL675412 0.87 NPC1 (0.47) AHRALKNPC1RAB9AMEN1
SCHEMBL3726833 0.84 AHR (0.42) AHRALKNPC1RAB9ASMN1; SMN2
SCHEMBL3726831 0.84 AHR (0.42) AHRALKNPC1RAB9ASMN1; SMN2
SCHEMBL3725133 0.83 GHSR (0.42) AHRALKNPC1RAB9AMEN1
SCHEMBL3725135 0.83 GHSR (0.42) AHRALKNPC1RAB9AMEN1

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 AHR 864/4885ALK 1/4885NPC1 239/4885

“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.