SCHEMBL4471232

SCHEMBL4471232

Cc1cc(=O)[nH]c(NC(=N)Nc2ccccc2C)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
MEN1 O00255 2/20 0.67
MAPT P10636 6/20 0.54
RECQL P46063 1/20 0.48
JMJD6 Q6NYC1 1/20 0.47
GAA P10253 3/20 0.47
NPC1 O15118 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PTBP1 P26599 1/20 0.45
POLB P06746 3/20 0.45
PKM P14618 1/20 0.45
USP2 O75604 1/20 0.45
KDM4E B2RXH2 3/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
NCOA1 Q15788 1/20 0.43

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
SCHEMBL4468900 0.84 RECQL (0.53) KMT2AMEN1MAPTRECQLJMJD6
SCHEMBL13919666 0.82 KMT2A (0.43) KMT2AMEN1MAPTGAANPC1
SCHEMBL9879486 0.80 KMT2A (1.00) KMT2AMEN1MAPTRECQLJMJD6
SCHEMBL5923138 0.77 RECQL (0.46) KMT2AMEN1MAPTRECQLNPC1
Ditolylguanidine SCHEMBL35348 0.74 NPC1 (0.61) KMT2AMEN1NPC1HTTALDH1A1
Ditolylguanidine SCHEMBL30468948 0.74 NPC1 (0.61) KMT2AMEN1NPC1HTTALDH1A1
Ditolylguanidine SCHEMBL5608944 0.73 NPC1 (0.59) KMT2AMEN1NPC1HTTALDH1A1
Ditolylguanidine SCHEMBL34468120 0.73 NPC1 (0.59) KMT2AMEN1NPC1HTTALDH1A1
Ditolylguanidine SCHEMBL28288690 0.73 NPC1 (0.59) KMT2AMEN1MAPTNPC1HTT
SCHEMBL4471243 0.72 MEN1 (0.53) KMT2AMEN1MAPTRECQLJMJD6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504502-B2 Guanidinopyrimidinone compounds and phase change inks containing same XEROX CORPORATION (US) 2009-03-17 US disclosed
US-20080171877-A1 GUANIDINOPYRIMIDINONE COMPOUNDS AND PHASE CHANGE INKS CONTAINING SAME XEROX CORPORATION (US) 2008-07-17 US disclosed
US-7371858-B2 Guanidinopyrimidinone compounds and phase change inks containing same XEROX CORPORATION (US) 2008-05-13 US disclosed
US-20060149063-A1 Guanidinopyrimidinone compounds and phase change inks containing same XEROX CORPORATION 2006-07-06 US disclosed
US-6811595-B2 Guanidinopyrimidinone compounds and phase change inks containing same XEROX CORPORATION 2004-11-02 US disclosed
US-20040060474-A1 Guanidinopyrimidinone compounds and phase change inks containing same XEROX CORPORATION 2004-04-01 US 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 (3 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-20060149063-A1 Guanidinopyrimidinone compounds and phase change inks containing same RPP30, INO80, CDK20 KMT2A 2305/4885MEN1 4220/4885MAPT 4002/4885
US-20040060474-A1 Guanidinopyrimidinone compounds and phase change inks containing same CCNI, INO80, CCNY KMT2A 1779/4885MEN1 4310/4885MAPT 3797/4885
US-20080171877-A1 GUANIDINOPYRIMIDINONE COMPOUNDS AND PHASE CHANGE INKS CONTAINING SAME INO80, RPP30, RO60 KMT2A 1968/4885MEN1 4021/4885MAPT 3723/4885

“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.