SCHEMBL677993

SCHEMBL677993

COc1ccc(-c2ccc3[nH]c4nc(-c5ccc(C)cc5)ccc4c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
KDR P35968 1/20 0.47
MAPT P10636 10/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
ALK Q9UM73 3/20 0.43
ACP1 P24666 1/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GSK3B P49841 1/20 0.42
PRKAG1 P54619 1/20 0.41
PRKAA1 Q13131 1/20 0.41

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
SCHEMBL676119 0.95 MAPT (0.48) MAPTKDM4EALDH1A1NPC1HPGD
SCHEMBL3671601 0.81 ALK (0.46) MAPTKDM4EALDH1A1NPC1HPGD
SCHEMBL675283 0.80 KDM4E (0.50) MAPTKDM4EALDH1A1NPC1HPGD
SCHEMBL675279 0.78 MAPT (0.50) MAPTALKGSK3B
SCHEMBL3363620 0.76 KDM4E (0.70) MAPTKDM4EALDH1A1NPC1HPGD
SCHEMBL678777 0.76 CA5A (0.53) MAPTKDM4ENPC1HPGDRAB9A
SCHEMBL3724896 0.74 CCNB2 (0.44) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL678677 0.74 ALK (0.58) MAPTKDM4EALDH1A1HPGDALK
SCHEMBL674939 0.72 ALK (0.39) MAPTKDM4EALDH1A1ALKMEN1
SCHEMBL675110 0.72 ADORA2A (0.45) MAPTALDH1A1NPC1RAB9ASMN1; SMN2

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 EGFR 226/4885KDR 216/4885MAPT 1494/4885

“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.