SCHEMBL10120330

SCHEMBL10120330

NNc1nc2c(s1)CCc1c-2ccc(Cl)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 2/20 0.46
KMT2A Q03164 6/20 0.46
MAPT P10636 6/20 0.46
MEN1 O00255 5/20 0.46
LMNA P02545 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
POLB P06746 3/20 0.46
GAA P10253 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
NOTUM Q6P988 1/20 0.36
TP53 P04637 3/20 0.35
ALOX12 P18054 2/20 0.34
NFKB1 P19838 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
SCHEMBL1694929 0.78 MAPT (0.46) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL1694583 0.76 EIF4E (0.48) EIF4EKMT2AMAPTMEN1LMNA
SCHEMBL1694677 0.74 EIF4E (0.44) EIF4EKMT2AMAPTMEN1LMNA
SCHEMBL1694293 0.64 EIF4E (0.46) EIF4EKMT2AMAPTMEN1LMNA
SCHEMBL988703 0.63 PIK3CA (0.44) KMT2AMAPTMEN1GAANPC1
SCHEMBL14814921 0.60 KMT2A (0.48) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL8557216 0.59 NOTUM (0.44) KMT2AMAPTMEN1KDM4EHPGD
SCHEMBL10120355 0.56 KDM4E (0.54) EIF4ELMNAGAAKDM4EHPGD
SCHEMBL28200110 0.55 MAPT (0.39) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL10893635 0.54 APOBEC3A (0.53) KMT2AMAPTMEN1LMNASMN1; 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 5 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-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
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 39/4885KMT2A 3071/4885MAPT 3316/4885

“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.