SCHEMBL1694677

SCHEMBL1694677

NNc1nc2c(s1)CCc1cc(Cl)c(Cl)cc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 2/20 0.44
MAPT P10636 8/20 0.41
TP53 P04637 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
ALOX12 P18054 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
XIAP P98170 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MPI P34949 1/20 0.37

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
SCHEMBL1694293 0.74 EIF4E (0.46) EIF4EMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL1694929 0.74 MAPT (0.46) MAPTTP53SMN1; SMN2RXFP1KMT2A
SCHEMBL10120330 0.74 EIF4E (0.46) EIF4EMAPTTP53SMN1; SMN2RXFP1
SCHEMBL1801705 0.63 ADORA1 (0.63) MAPTKDM4EALDH1A1MPIADORA1
SCHEMBL988703 0.62 PIK3CA (0.44) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL1813074 0.60 MAPT (0.63) MAPTTP53SMN1; SMN2RXFP1KMT2A
SCHEMBL1813084 0.60 ADORA1 (0.63) MAPTKDM4EALDH1A1MPIADORA1
SCHEMBL2762751 0.59 KDM4E (0.67) MAPTKDM4EALDH1A1MPIADORA1
SCHEMBL14814921 0.59 KMT2A (0.48) MAPTSMN1; SMN2RXFP1KMT2AMEN1
SCHEMBL12000664 0.57 ADORA1 (0.46) MAPTTP53SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969573-B2 Compounds for the inhibition of cellular proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-03-03 US disclosed
US-8969573-B2 Compounds for the inhibition of cellular proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-03-03 US disclosed
US-8969573-B2 Compounds for the inhibition of cellular proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-03-03 US disclosed
US-20130178505-A1 Compounds for the Inhibition of Cellular Proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-07-11 US disclosed
US-20130178505-A1 Compounds for the Inhibition of Cellular Proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-07-11 US disclosed
US-20130178505-A1 Compounds for the Inhibition of Cellular Proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-07-11 US disclosed
EP-2585453-A2 COMPOUNDS FOR THE INHIBITION OF CELLULAR PROLIFERATION President and Fellows of Harvard College (US) 2013-05-01 EP disclosed
WO-2012006068-A2 COMPOUNDS FOR THE INHIBITION OF CELLULAR PROLIFERATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-12 WO disclosed
WO-2012006068-A2 COMPOUNDS FOR THE INHIBITION OF CELLULAR PROLIFERATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-12 WO 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-20130178505-A1 Compounds for the Inhibition of Cellular Proliferation MKI67, EIF2AK2, CDK2 EIF4E 39/4885MAPT 3316/4885TP53 352/4885

“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.