SCHEMBL4261897

SCHEMBL4261897

CSc1ncc2c(=O)[nH]n(Cc3ccccc3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
DAO P14920 2/20 0.43
MAPT P10636 3/20 0.42
TSHR P16473 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
BRAF P15056 1/20 0.40
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 1/20 0.37
ABL1 P00519 1/20 0.36
FYN P06241 1/20 0.36
SRC P12931 1/20 0.36
FLT3 P36888 1/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
PTBP1 P26599 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL12639123 0.81 MEN1 (0.39) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL1811445 0.80 MEN1 (0.45) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL1813376 0.79 LDHA (0.54) MEN1KMT2AMAPTTSHRNPSR1
SCHEMBL30614402 0.77 KDM4E (0.42) MEN1KMT2AMAPTNPSR1
SCHEMBL25268161 0.77 KDM4E (0.42) MEN1KMT2AMAPTNPSR1
SCHEMBL1813535 0.74 MEN1 (0.42) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL30305668 0.73 GAA (0.55) MEN1KMT2AHPGDABL1FYN
SCHEMBL1523079 0.73 TSHR (0.46) MEN1KMT2AMAPTTSHRNPSR1
SCHEMBL1812904 0.73 ALDH1A1 (0.50) MEN1KMT2AMAPTTSHRNPSR1
SCHEMBL1227299 0.72 MAP4K1 (0.48) MEN1KMT2AMAPTTSHRNPSR1

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-20090029989-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES ADAMS JERRY LEROY 2009-01-29 US disclosed
EP-1432714-B1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-08-06 EP disclosed
US-20070293489-A1 Substituted Pyrazolopyrimidines ADAMS JERRY 2007-12-20 US disclosed
US-7217710-B2 Substituted pyrazolopyrimidines SMITHKLINE BEECHAM CORPORATION (US) 2007-05-15 US disclosed
US-20040198751-A1 Pyrazolo-pyrimidine compound; anticancer agents SMITHKLINE BEECHAM CORPORATION 2004-10-07 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-20070293489-A1 Substituted Pyrazolopyrimidines DPYD, TPMT, TYMP MEN1 2579/4885KMT2A 2903/4885DAO 727/4885
US-20090029989-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES DPYD, TPMT, TYMP MEN1 2579/4885KMT2A 2903/4885DAO 727/4885
US-20040198751-A1 Pyrazolo-pyrimidine compound; anticancer agents DPYD, TYMP, TYMS MEN1 1936/4885KMT2A 2059/4885DAO 1344/4885

“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.