SCHEMBL676307

SCHEMBL676307

CCCCCC=Cc1ccc2c(n1)[nH]c1ccc(C=Cc3ccccc3)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.38
IP6K1 Q92551 1/20 0.38
CYP2D6 P10635 1/20 0.36
ADORA3 P0DMS8 2/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LTB4R Q15722 1/20 0.34
ALK Q9UM73 4/20 0.34
CNR2 P34972 1/20 0.34
DAGLA Q9Y4D2 1/20 0.34
GAA P10253 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL676306 1.00 MAPKAPK2 (0.38) MAPKAPK2IP6K1CYP2D6ADORA3TP53
SCHEMBL676268 0.90 RELA (0.41) SMN1; SMN2KDM4EALK
SCHEMBL676437 0.89 AHR (0.39) SMN1; SMN2KDM4ECYP1A2ALKCNR2
SCHEMBL676436 0.89 AHR (0.39) SMN1; SMN2KDM4ECYP1A2ALKCNR2
SCHEMBL675137 0.87 ALK (0.37) CYP2D6KDM4ECYP1A2CYP3A4TSHR
SCHEMBL675136 0.87 ALK (0.37) CYP2D6KDM4ECYP1A2CYP3A4TSHR
SCHEMBL676476 0.85 IP6K1 (0.44) MAPKAPK2IP6K1CYP2D6MAPTSMN1; SMN2
SCHEMBL3723581 0.83 ALK (0.37) MAPKAPK2IP6K1CYP2D6ADORA3ALK
SCHEMBL3723579 0.83 ALK (0.37) MAPKAPK2IP6K1CYP2D6ADORA3ALK
SCHEMBL3725585 0.82 GABRP (0.40) MAPKAPK2IP6K1TP53MAPTSMN1; 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 MAPKAPK2 2823/4885IP6K1 3330/4885CYP2D6 4105/4885

“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.