SCHEMBL675372

SCHEMBL675372

O=[N+]([O-])c1cccc(Nc2ccc3c(n2)[nH]c2ccc(C=Cc4ccccc4)cc23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.48
PTK6 Q13882 4/20 0.48
LCK P06239 1/20 0.46
LYN P07948 1/20 0.46
SRC P12931 1/20 0.46
CSK P41240 1/20 0.46
BTK Q06187 1/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ERBB2 P04626 2/20 0.45
CYP19A1 P11511 1/20 0.44
ROCK1 Q13464 1/20 0.44
ABCG2 Q9UNQ0 4/20 0.44
ABCC1 P33527 1/20 0.44
MAPT P10636 3/20 0.43

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
SCHEMBL678867 0.85 IP6K1 (0.40) KMT2AALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL698441 0.85 IP6K1 (0.40) KMT2AALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL675511 0.84 PTK6 (0.61) PTK6KMT2AALDH1A1KDM4EGLA
SCHEMBL678894 0.82 MAPT (0.45) NFE2L2KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL675734 0.82 MAPT (0.45) NFE2L2KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL675373 0.81 PTK6 (0.49) PTK6KMT2AALDH1A1KDM4EGLA
SCHEMBL13464098 0.77 IP6K1 (0.39) KMT2ASMN1; SMN2MAPTRAB9AMEN1
SCHEMBL5250003 0.71 KDR (0.68) NFE2L2KDR
SCHEMBL676476 0.71 IP6K1 (0.44) KMT2AALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL676823 0.70 KDM4E (0.44) KMT2AALDH1A1KDM4EGLAGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US claimed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP claimed
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 NFE2L2 845/4885PTK6 2466/4885LCK 1191/4885

“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.