SCHEMBL676562

SCHEMBL676562

NCCCCCc1cnc2[nH]c3ccc(C=Cc4ccccc4)cc3c2c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.36
MAOA P21397 1/20 0.35
IP6K1 Q92551 4/20 0.34
IP6K3 Q96PC2 1/20 0.34
IP6K2 Q9UHH9 1/20 0.34
MC4R P32245 4/20 0.34
MC5R P33032 4/20 0.34
MC3R P41968 4/20 0.34
HRH1 P35367 2/20 0.33
HDAC1 Q13547 2/20 0.32

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
SCHEMBL675914 0.90 NFE2L2 (0.40) ALK
SCHEMBL3728950 0.88 GABRP (0.39) ALKIP6K1IP6K3IP6K2
SCHEMBL3728948 0.88 GABRP (0.39) ALKIP6K1IP6K3IP6K2
SCHEMBL677053 0.88 ALK (0.39) ALK
SCHEMBL677178 0.83 SGK1 (0.40) MAOAHRH1
SCHEMBL675098 0.79 IP6K1 (0.36) ALKIP6K1IP6K3IP6K2MC4R
SCHEMBL676275 0.78 ALK (0.46) ALKIP6K1IP6K3IP6K2MC4R
SCHEMBL3728418 0.78 NFE2L2 (0.38) ALK
SCHEMBL3723526 0.77 TUBB4A (0.45) ALK
SCHEMBL3723528 0.77 TUBB4A (0.45) ALK

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 ALK 1/4885MAOA 4462/4885IP6K1 3330/4885

“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.