SCHEMBL1694583

SCHEMBL1694583

NNc1nc2c(s1)COc1c-2ccc(Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 6/20 0.48
LMNA P02545 6/20 0.43
MEN1 O00255 5/20 0.43
MAPT P10636 5/20 0.43
KMT2A Q03164 5/20 0.43
GAA P10253 4/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 4/20 0.40
MPL P40238 3/20 0.40
NOTUM Q6P988 1/20 0.38
ALDH1A1 P00352 4/20 0.36
HTT P42858 2/20 0.36
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
PPARG P37231 1/20 0.34

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
SCHEMBL10120355 0.82 KDM4E (0.54) EIF4ELMNAGAAKDM4ENOTUM
SCHEMBL1694293 0.76 EIF4E (0.46) EIF4ELMNAMEN1MAPTKMT2A
SCHEMBL10120330 0.76 EIF4E (0.46) EIF4ELMNAMEN1MAPTKMT2A
SCHEMBL1694929 0.68 MAPT (0.46) LMNAMEN1MAPTKMT2AGAA
SCHEMBL1694677 0.64 EIF4E (0.44) EIF4ELMNAMEN1MAPTKMT2A
SCHEMBL988703 0.62 PIK3CA (0.44) MEN1MAPTKMT2AGAANPC1
SCHEMBL14814921 0.58 KMT2A (0.48) LMNAMEN1MAPTKMT2AGAA
SCHEMBL20597218 0.57 NOTUM (0.79) GAAKDM4ENOTUMALDH1A1HPGD
SCHEMBL20597453 0.55 NOTUM (1.00) LMNAGAAKDM4ENOTUMALDH1A1
SCHEMBL10120230 0.54 NOTUM (0.32) NOTUM

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 39/4885LMNA 1228/4885MEN1 3017/4885

“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.