SCHEMBL1695207

SCHEMBL1695207

O=C(O)c1cc(-n2cc(-c3ccc(Cl)c(Cl)c3)nn2)c2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMO O15229 5/20 0.51
BCHE P06276 1/20 0.44
POLB P06746 2/20 0.44
HTT P42858 1/20 0.44
LDHA P00338 2/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PPP1CA P62136 1/20 0.41
PRSS12 P56730 3/20 0.40
DHODH Q02127 1/20 0.40
MIF P14174 1/20 0.40
TTR P02766 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39

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
SCHEMBL10120532 0.89 NOTUM (0.42) KMOBCHEPOLBHTTMEN1
SCHEMBL1694971 0.87 LDHA (0.53) KMOBCHELDHADHODHMIF
SCHEMBL15100599 0.80 DHODH (0.47) POLBHTTMEN1CYP1A2CYP2D6
SCHEMBL15100471 0.76 PRSS12 (0.47) KMOPOLBPRSS12DHODH
SCHEMBL10120527 0.76 ABCG2 (0.46) BCHELDHAMEN1KMT2AMIF
SCHEMBL1694845 0.74 KDM4E (0.51) POLBHTTMEN1CYP1A2CYP2D6
SCHEMBL117357 0.70 DHODH (0.71) POLBMEN1CYP1A2CYP2D6MAPT
SCHEMBL1694435 0.69 OGT (0.45) PRSS12DHODH
SCHEMBL19182235 0.68 OGT (0.52) LDHA
SCHEMBL2775988 0.68 ALOX15 (0.58) HTTMEN1MAPTKMT2A

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 7 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
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 KMO 3633/4885BCHE 3770/4885POLB 86/4885

“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.