SCHEMBL4647596

SCHEMBL4647596

Cc1nc(-c2ccccc2)cc(N(C)N)n1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.59
MEN1 O00255 5/20 0.59
KDM4E B2RXH2 3/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 6/20 0.45
TP53 P04637 4/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.45
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ADORA2A P29274 3/20 0.44
ADORA1 P30542 2/20 0.44
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
AGTR1 P30556 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL10039374 0.79 KMT2A (0.60) KMT2AMEN1KDM4EGAAMAPT
SCHEMBL17286932 0.75 KMT2A (0.60) KMT2AMEN1KDM4EGAAMAPT
SCHEMBL16353106 0.75 KMT2A (0.60) KMT2AMEN1KDM4EGAAMAPT
SCHEMBL8265150 0.74 ADORA2A (0.66) KMT2AMEN1KDM4EMAPTTP53
SCHEMBL13561140 0.74 MEN1 (1.00) KMT2AMEN1KDM4EGAAMAPT
SCHEMBL14970094 0.74 TSHR (0.56) KMT2AMEN1KDM4EGAAMAPT
SCHEMBL13611581 0.73 KDR (0.53) KMT2AMEN1KDM4EMAPTTP53
SCHEMBL18900464 0.72 KMT2A (0.72) KMT2AMEN1KDM4EGAAMAPT
SCHEMBL21031204 0.72 KMT2A (0.53) KMT2AMEN1KDM4EMAPTTP53
SCHEMBL18562524 0.71 KMT2A (0.55) KMT2AMEN1KDM4EMAPTTP53

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-8288398-B2 Antiproliferative pyrimidyl, fused pyrimidyl and pyrimidyl hydrazones MERCK SERONO SA (CH) 2012-10-16 US disclosed
US-20120238575-A1 ANTIPROLIFERATIVE PYRIMIDYL, FUSED PYRIMIDYL AND PYRIMIDYL HYDRAZONES MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-20080287474-A1 Antiproliferative Pyrimidyl, Fused Pyrimidyl and Pyrimidyl Hydrazones LABORATOIRES SERONO SA (CH) 2008-11-20 US disclosed
EP-1957469-A1 ANTIPROLIFERATIVE PYRIMIDYL, FUSED PYRIMIDYL AND PYRIMIDYL HYDRAZONES Laboratoires Serono SA (CH) 2008-08-20 EP disclosed
WO-2007065940-A1 ANTIPROLIFERATIVE PYRIMIDYL, FUSED PYRIMIDYL AND PYRIMIDYL HYDRAZONES LABORATOIRES SERONO S.A. (CH) 2007-06-14 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 (2 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-20080287474-A1 Antiproliferative Pyrimidyl, Fused Pyrimidyl and Pyrimidyl Hydrazones TYMP, DHFR, DPYD KMT2A 2069/4885MEN1 1194/4885KDM4E 3687/4885
US-20120238575-A1 ANTIPROLIFERATIVE PYRIMIDYL, FUSED PYRIMIDYL AND PYRIMIDYL HYDRAZONES TYMP, DHFR, DPYD KMT2A 2069/4885MEN1 1194/4885KDM4E 3687/4885

“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.