SCHEMBL676840

SCHEMBL676840

C=C(c1ccc2[nH]c3nccc(Cl)c3c2c1)c1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.42
AURKB Q96GD4 2/20 0.42
PTK6 Q13882 8/20 0.42
ERBB2 P04626 7/20 0.41
ALK Q9UM73 4/20 0.40
GRM4 Q14833 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
UTS2R Q9UKP6 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
SCHEMBL676185 0.88 ERBB2 (0.38) AURKAAURKBPTK6ERBB2ALK
SCHEMBL3669225 0.84 AURKA (0.47) AURKAAURKBPTK6ERBB2ALK
SCHEMBL674860 0.81 SMN1; SMN2 (0.38) PTK6ERBB2RAB9A
SCHEMBL3725134 0.79 UTS2R (0.40) AURKAAURKBPTK6ERBB2ALK
SCHEMBL675228 0.78 LMNA (0.36) NPC1RAB9A
SCHEMBL675855 0.76 ALK (0.43) ALKUTS2R
SCHEMBL676448 0.76 ALK (0.42) AURKAPTK6ERBB2ALK
SCHEMBL3662784 0.76 ERBB2 (0.47) AURKAAURKBPTK6ERBB2ALK
SCHEMBL676137 0.75 AURKA (0.50) AURKAAURKBPTK6ERBB2ALK
SCHEMBL676244 0.74 CTNNB1 (0.34) NPC1RAB9A

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 AURKA 1772/4885AURKB 1300/4885PTK6 2466/4885

“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.