SCHEMBL675373

SCHEMBL675373

C=C(c1ccccc1)c1ccc2[nH]c3nc(Nc4cccc([N+](=O)[O-])c4)ccc3c2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTK6 Q13882 3/20 0.49
ERBB2 P04626 2/20 0.49
ABCG2 Q9UNQ0 9/20 0.45
ABCC1 P33527 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ROCK1 Q13464 1/20 0.43
PDE5A O76074 1/20 0.42
KDR P35968 1/20 0.39
MAPT P10636 2/20 0.39
HDAC11 Q96DB2 1/20 0.39
TP53 P04637 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
SCHEMBL698442 0.86 KDR (0.39) KDM4EKMT2AKDRMAPT
SCHEMBL675735 0.83 MAPT (0.43) PTK6ERBB2ABCG2KDM4EALDH1A1
SCHEMBL675511 0.83 PTK6 (0.61) PTK6ERBB2ABCG2ABCC1KDM4E
SCHEMBL675372 0.81 NFE2L2 (0.48) PTK6ERBB2ABCG2ABCC1KDM4E
SCHEMBL676239 0.75 PTK6 (0.46) PTK6ERBB2ABCG2ABCC1ALDH1A1
SCHEMBL676477 0.72 KDR (0.41) KDM4EALDH1A1KMT2ASMN1; SMN2KDR
SCHEMBL676824 0.71 KDM4E (0.42) KDM4EALDH1A1KMT2AKDR
SCHEMBL16395918 0.70 TP53 (0.66) ALDH1A1KMT2ASMN1; SMN2MAPTTP53
SCHEMBL11860308 0.67 KDR (0.46) KDM4EALDH1A1KMT2ASMN1; SMN2KDR
SCHEMBL5253099 0.66 HCAR3 (0.63) ABCG2ABCC1ALDH1A1POLBGAA

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 PTK6 2466/4885ERBB2 156/4885ABCG2 1990/4885

“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.