SCHEMBL3265290

SCHEMBL3265290

C=CCSc1nc2cncnc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 7/20 0.45
RECQL P46063 1/20 0.45
HPGD P15428 4/20 0.38
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
MAPT P10636 4/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL2563782 0.76 KMT2A (0.50) MEN1KMT2AALDH1A1RECQLHPGD
SCHEMBL5376580 0.74 NUDT1 (0.41) ALDH1A1HPGDMAPTPOLBL3MBTL1
SCHEMBL13736844 0.74 SCN9A (0.47) CYP1A2CYP3A4CYP2C9CYP2C19RAB9A
SCHEMBL13134192 0.73
SCHEMBL17574489 0.73 MEN1 (0.43) MEN1KMT2AALDH1A1RECQLHPGD
SCHEMBL2053065 0.71 ALDH1A1 (0.47) MEN1KMT2AALDH1A1HPGDTP53
SCHEMBL13134199 0.70 EGFR (0.31)
SCHEMBL18785373 0.70 METAP2 (0.38) HPGD
SCHEMBL11034285 0.70 ALDH1A1 (0.32) MEN1KMT2AALDH1A1HPGDTP53
SCHEMBL3264806 0.68 ALDH1A1 (0.34) MEN1KMT2AALDH1A1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691635-B2 Labeling reagents, methods for the synthesis of such reagents and methods for the detection of biological molecules BIOMERIEUX (FR) 2010-04-06 US disclosed
EP-1383732-B1 LABELLING REAGENTS, METHOD FOR SYNTHESIS OF SAID REAGENTS AND METHODS FOR DETECTING BIOLOGICAL MOLECULES BIO MERIEUX (FR) 2010-02-17 EP disclosed
US-7338805-B2 Labeling reagents, methods for synthesizing such reagents and methods for detecting biological molecules BIO MERIEUX (FR) 2008-03-04 US disclosed
US-20080032288-A1 Labeling Reagents, Methods for the Synthesis of Such Reagents and Methods for the Detection of Biological Molecules BIOMERIEUX (FR) 2008-02-07 US disclosed
EP-1727825-A1 LABELLING REAGENTS, METHODS FOR THE SYNTHESIS OF SUCH REAGENTS AND METHODS FOR THE DETECTION OF BIOLOGICAL MOLECULES BIOMERIEUX (FR) 2006-12-06 EP disclosed
EP-1383925-B1 METHOD FOR LABELLING AND FRAGMENTING DNA BIO MERIEUX (FR) 2006-09-20 EP disclosed
US-7060441-B2 Method for fragmenting and labeling DNA involving abasic sites and phosphate labeling BIOMERIEUX (FR) 2006-06-13 US disclosed
WO-2005092910-A1 LABELLING REAGENTS, METHODS FOR THE SYNTHESIS OF SUCH REAGENTS AND METHODS FOR THE DETECTION OF BIOLOGICAL MOLECULES BIOMERIEUX (FR) 2005-10-06 WO disclosed
EP-1383925-A2 METHOD FOR LABELLING AND FRAGMENTING DNA BIO MERIEUX (FR) 2004-01-28 EP disclosed
EP-1383732-A1 LABELLING REAGENTS, METHOD FOR SYNTHESIS OF SAID REAGENTS AND METHODS FOR DETECTING BIOLOGICAL MOLECULES BIO MERIEUX (FR) 2004-01-28 EP disclosed
US-20030186448-A1 Labeling reagents, methods for synthesizing such reagents and methods for detecting biological molecules BIO MERIEUX (FR) 2003-10-02 US disclosed
US-20030143555-A1 Fragmenting the DNA by creating at least one abasic site on DNA, attaching a marker to one of the fragments by means of labeling reagent which is covalently and predominantly coupling to the phosphate of the fragment BIO MERIEUX (FR) 2003-07-31 US disclosed
WO-2002090319-A1 LABELLING REAGENTS, METHOD FOR SYNTHESIS OF SAID REAGENTS AND METHODS FOR DETECTING BIOLOGICAL MOLECULES BIO MERIEUX (FR) 2002-11-14 WO disclosed
WO-2002090584-A2 METHOD FOR LABELLING AND FRAGMENTING DNA BIO MERIEUX (FR) 2002-11-14 WO disclosed
US-6103737-A Aryl- and arylamino- substituted heterocycles as corticotropin releasing hormone antagonists DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-15 US disclosed
EP-0994860-A1 ARYL-AND ARYLAMINO-SUBSTITUTED HETEROCYCLES AS CORTICOTROPIN RELEASING HORMONE ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2000-04-26 EP disclosed
WO-1999001439-A1 ARYL-AND ARYLAMINO-SUBSTITUTED HETEROCYCLES AS CORTICOTROPIN RELEASING HORMONE ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-01-14 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-20080032288-A1 Labeling Reagents, Methods for the Synthesis of Such Reagents and Methods for the Detection of Biological Molecules CBR3, CBR1, NR4A1 MEN1 2676/4885KMT2A 1708/4885ALDH1A1 1817/4885
US-20030143555-A1 Fragmenting the DNA by creating at least one abasic site on DNA, attaching a marker to one of the fragments by means of labeling reagent which is covalently and predominantly coupling to the phosphate of the fragment FEN1, DNMT1, UNG MEN1 3188/4885KMT2A 2298/4885ALDH1A1 1360/4885

“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.