SCHEMBL677933

SCHEMBL677933

COc1cccc(Oc2ccnc3c2c2ccccc2n3C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FGFR1 P11362 1/20 0.40
KDR P35968 1/20 0.40
EGFR P00533 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
GRM1 Q13255 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL678755 0.82 MAPT (0.45) L3MBTL1KDM4EALDH1A1MAPTHPGD
SCHEMBL675146 0.81 MTNR1B (0.38) L3MBTL1MEN1ALDH1A1MAPTKMT2A
SCHEMBL7454814 0.73 EGFR (0.56) KDM4EMAPTKDREGFR
SCHEMBL679246 0.72 L3MBTL1 (0.50) L3MBTL1KDM4EMEN1ALDH1A1MAPT
SCHEMBL31744794 0.71 PRKCA (0.49) L3MBTL1KDM4EMEN1ALDH1A1MAPT
SCHEMBL6517411 0.70 AURKA (0.50) KDM4EMEN1MAPTKMT2A
SCHEMBL678690 0.68 GPR3 (0.44) L3MBTL1KDM4EMAPTSMN1; SMN2EGFR
SCHEMBL31744635 0.68 L3MBTL1 (0.56) L3MBTL1KDM4EMEN1ALDH1A1MAPT
SCHEMBL7481076 0.67 EGFR (0.78) EGFR
SCHEMBL1137750 0.66 RHEB (0.55) L3MBTL1KDM4EMEN1ALDH1A1MAPT

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 2 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

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 L3MBTL1 1883/4885KDM4E 2789/4885MEN1 1324/4885

“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.