SCHEMBL676448

SCHEMBL676448

C=C(c1ccccc1)c1ccc2[nH]c3nccc(C(=C)c4ccccc4)c3c2c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 11/20 0.42
ERBB2 P04626 6/20 0.41
PTK6 Q13882 6/20 0.40
CHEK1 O14757 1/20 0.38
KDR P35968 1/20 0.38
AURKA O14965 1/20 0.36
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
ACVR1 Q04771 1/20 0.36
AURKC Q9UQB9 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 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
SCHEMBL676322 0.86 ALK (0.49) ALKERBB2PTK6AURKAEGFR
SCHEMBL3669225 0.86 AURKA (0.47) ALKERBB2PTK6CHEK1KDR
SCHEMBL676185 0.85 ERBB2 (0.38) ALKERBB2PTK6AURKAEGFR
SCHEMBL676374 0.85 ERBB2 (0.47) ALKERBB2PTK6EGFR
SCHEMBL11860308 0.76 KDR (0.46) CHEK1KDRMEN1KMT2A
SCHEMBL676840 0.76 AURKA (0.42) ALKERBB2PTK6AURKA
SCHEMBL3664375 0.74 MAP2 (0.43) ERBB2PTK6CHEK1KDRMEN1
SCHEMBL676477 0.72 KDR (0.41) CHEK1KDRMEN1KMT2A
SCHEMBL3662784 0.72 ERBB2 (0.47) ALKERBB2PTK6AURKAEGFR
SCHEMBL676824 0.71 KDM4E (0.42) CHEK1KDRMEN1KMT2A

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 1/4885ERBB2 156/4885PTK6 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.