SCHEMBL676322

SCHEMBL676322

C=C(c1ccccc1)c1ccnc2[nH]c3ccccc3c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.49
ERBB2 P04626 4/20 0.45
PTK6 Q13882 7/20 0.44
EGFR P00533 2/20 0.44
AURKA O14965 1/20 0.44
SRC P12931 1/20 0.44
ACVR1 Q04771 1/20 0.44
AURKC Q9UQB9 1/20 0.44
UTS2R Q9UKP6 7/20 0.43
MAPK14 Q16539 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL676448 0.86 ALK (0.42) ALKERBB2PTK6EGFRAURKA
SCHEMBL15644965 0.76 ALK (0.48) ALKERBB2PTK6EGFRAURKA
SCHEMBL676185 0.74 ERBB2 (0.38) ALKERBB2PTK6EGFRAURKA
SCHEMBL28821931 0.72 AURKA (0.64) ALKERBB2PTK6EGFRAURKA
SCHEMBL676374 0.72 ERBB2 (0.47) ALKERBB2PTK6EGFRPOLB
Carbazole SCHEMBL27524980 0.71 ALDH1A1 (0.61) AURKAKDM4EALDH1A1LMNACYP1A2
SCHEMBL3669225 0.71 AURKA (0.47) ALKERBB2PTK6EGFRAURKA
SCHEMBL675814 0.71 GABRP (0.44) KDM4EALDH1A1LMNACYP1A2CYP3A4
SCHEMBL23967951 0.69 ERBB2 (0.65) ALKERBB2PTK6EGFRAURKA
SCHEMBL16011809 0.69 ALK (0.54) ALKERBB2PTK6EGFRAURKA

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.