SCHEMBL5457488

SCHEMBL5457488

CN(C)C=CC(=O)c1c(-c2ccc(F)cc2)nn2c(NC3CCCC3)cccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CSNK1E P49674 2/20 0.38
ALOX5 P09917 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
FYN P06241 2/20 0.35
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NPC1 O15118 2/20 0.35

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
SCHEMBL5457485 1.00 TDP1 (0.39) TDP1MEN1KMT2ATP53MAPT
SCHEMBL5217022 0.90 HTT (0.39) TDP1MEN1KMT2ATP53MAPT
SCHEMBL5217016 0.90 HTT (0.39) TDP1MEN1KMT2ATP53MAPT
SCHEMBL5943287 0.89 ALDH1A1 (0.39) MEN1KMT2ATP53MAPTUSP2
SCHEMBL5943280 0.89 ALDH1A1 (0.39) MEN1KMT2ATP53MAPTUSP2
SCHEMBL5943215 0.86 TP53 (0.44) TDP1MEN1KMT2ATP53MAPT
SCHEMBL5943212 0.86 TP53 (0.44) TDP1MEN1KMT2ATP53MAPT
SCHEMBL6106986 0.85 ALDH1A1 (0.41) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL6106977 0.85 ALDH1A1 (0.41) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL5453415 0.85 MAPT (0.36) TDP1MEN1KMT2ATP53MAPT

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-20070287721-A1 Pyrazolopyridinyl pyridine BOYD F LESLIE 2007-12-13 US disclosed
EP-1341788-B1 PYRAZOLOPYRIDINES GLAXO GROUP LTD (GB) 2005-08-10 EP disclosed
EP-1377573-B1 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2005-07-27 EP disclosed
US-6919352-B2 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2005-07-19 US disclosed
US-20040072853-A1 Therapeutic compounds CHAMBERLAIN STANLEY D (US) 2004-04-15 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 (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-20070287721-A1 Pyrazolopyridinyl pyridine CYP3A5, CYP2C19, CYP3A4 TDP1 3009/4885MEN1 1762/4885KMT2A 3949/4885
US-20040072853-A1 Therapeutic compounds PCSK9, ABCB1, FURIN TDP1 4213/4885MEN1 527/4885KMT2A 4619/4885

“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.