SCHEMBL676137

SCHEMBL676137

O=C(c1ccccc1)c1ccc2[nH]c3nccc(Cl)c3c2c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.50
AURKB Q96GD4 1/20 0.50
ALK Q9UM73 2/20 0.49
PTK6 Q13882 6/20 0.49
ERBB2 P04626 4/20 0.49
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
DHODH Q02127 1/20 0.43
POLB P06746 1/20 0.41
ABL1 P00519 1/20 0.41
FABP6 P51161 1/20 0.41
CNR1 P21554 1/20 0.41
VCAM1 P19320 1/20 0.40

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
SCHEMBL674994 0.87 ERBB2 (0.50) AURKAAURKBALKPTK6ERBB2
SCHEMBL3669225 0.85 AURKA (0.47) AURKAAURKBALKPTK6ERBB2
SCHEMBL675345 0.80 CA1 (0.47) AURKAAURKBALKPTK6ERBB2
SCHEMBL677456 0.80 ALK (0.47) AURKAALKALDH1A1HPGDRAB9A
SCHEMBL675910 0.80 PARP1 (0.46) AURKAAURKBALKPTK6ERBB2
SCHEMBL675341 0.79 TLR9 (0.50) AURKAAURKBALKPTK6ERBB2
SCHEMBL674216 0.79 ERBB2 (0.48) AURKAAURKBALKPTK6ERBB2
SCHEMBL674851 0.78 MAP2 (0.49) PTK6ERBB2ALDH1A1HPGDRAB9A
SCHEMBL675879 0.78 KDM5B (0.48) RAB9ASMN1; SMN2KDM4EPOLBCNR1
SCHEMBL675507 0.78 ERBB2 (0.47) AURKAAURKBALKPTK6ERBB2

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 1300/4885ALK 1/4885

“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.