SCHEMBL676268

SCHEMBL676268

CCCCCC=Cc1ccc2c(n1)[nH]c1ccc(C=Cc3cccc(F)c3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALK Q9UM73 1/20 0.39
USP20 Q9Y2K6 1/20 0.37
TRPV3 Q8NET8 1/20 0.37
NFE2L2 Q16236 7/20 0.36
GRM4 Q14833 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
PARP1 P09874 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 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
SCHEMBL676306 0.90 MAPKAPK2 (0.38) KDM4ESMN1; SMN2ALK
SCHEMBL676307 0.90 MAPKAPK2 (0.38) KDM4ESMN1; SMN2ALK
SCHEMBL676243 0.86 RELA (0.47) RELAKDM4ENPC1ALDH1A1HPGD
SCHEMBL3722918 0.85 ALK (0.40) RELAKDM4ESMN1; SMN2ALKUSP20
SCHEMBL3721855 0.84 ALK (0.38) RELAALKUSP20NFE2L2TUBB4A
SCHEMBL676436 0.83 AHR (0.39) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL676437 0.83 AHR (0.39) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL675854 0.80 ALK (0.56) ALKNFE2L2GRM4
SCHEMBL675136 0.79 ALK (0.37) KDM4EALK
SCHEMBL675137 0.79 ALK (0.37) KDM4EALK

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 RELA 565/4885KDM4E 2789/4885NPC1 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.