SCHEMBL677720

SCHEMBL677720

CCCSCC(=O)c1ccc2[nH]c3ncccc3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 2/20 0.42
HCRTR1 O43613 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ERBB2 P04626 3/20 0.39
PTK6 Q13882 2/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
CHEK1 O14757 1/20 0.38
NPC1 O15118 1/20 0.38
ATM Q13315 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 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
SCHEMBL678859 0.88 KDM4E (0.44) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL677968 0.80 MAPT (0.46) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL679371 0.80 ALDH1A1 (0.56) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL675148 0.79 MEN1 (0.44) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL13596783 0.79 KDM4E (0.68) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL5436301 0.78 KIF11 (0.56) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL675383 0.78 ERBB2 (0.55) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL678627 0.77 CYP1A2 (0.50) MEN1KMT2AKDM4EALDH1A1RAB9A
SCHEMBL676547 0.76 GSK3B (0.55) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL676505 0.75 RIPK1 (0.50) MEN1KMT2AMAPTKDM4EALDH1A1

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 MEN1 1324/4885KMT2A 492/4885MAPT 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.