SCHEMBL409424

SCHEMBL409424

COc1ccccc1CCNC(=O)c1ccc2c(-c3c(-c4cccc(C)n4)nn4ccccc34)ccnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TGFBR1 P36897 7/20 0.46
TP53 P04637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
NAMPT P43490 4/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
KDR P35968 3/20 0.40
GAK O14976 1/20 0.40
RIPK2 O43353 1/20 0.40
MAP4K4 O95819 1/20 0.40
ACVR1B P36896 1/20 0.40
TGFBR2 P37173 1/20 0.40
CSNK1A1 P48729 1/20 0.40

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
SCHEMBL5229720 0.89 TGFBR1 (0.44) TGFBR1TP53NPSR1CACNA1BAPBA1
SCHEMBL414681 0.88 TGFBR1 (0.51) MAPTMEN1KMT2ATGFBR1POLB
SCHEMBL413710 0.86 TGFBR1 (0.49) MAPTMEN1KMT2ATGFBR1POLB
SCHEMBL412319 0.86 TGFBR1 (0.61) TGFBR1TP53KDRGAKRIPK2
SCHEMBL412491 0.85 TGFBR1 (0.57) TGFBR1TP53KDRGAKRIPK2
SCHEMBL414592 0.84 TGFBR1 (0.47) MAPTMEN1KMT2ATGFBR1TP53
SCHEMBL413597 0.84 TGFBR1 (0.48) TGFBR1KDRGAKRIPK2MAP4K4
SCHEMBL4868122 0.84 TGFBR1 (0.57) TGFBR1KDRGAKRIPK2MAP4K4
SCHEMBL412989 0.84 TGFBR1 (0.47) TGFBR1KDRGAKRIPK2MAP4K4
SCHEMBL414211 0.82 TGFBR1 (0.53) MAPTMEN1KMT2ATGFBR1KDR

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-7365066-B2 Pyrazolopyridine derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-04-29 US claimed
US-20050222197-A1 Novel pyrazolopyridine derivatives as pharmaceutical agents BEIGHT DOUGLAS W 2005-10-06 US claimed
US-20120021519-A1 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-26 US disclosed
US-7365066-B2 Pyrazolopyridine derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-04-29 US disclosed
US-20050222197-A1 Novel pyrazolopyridine derivatives as pharmaceutical agents BEIGHT DOUGLAS W 2005-10-06 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 (1 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-20050222197-A1 Novel pyrazolopyridine derivatives as pharmaceutical agents TGFB2, TGFB1, TGFBR1 MAPT 2434/4885MEN1 2635/4885KMT2A 4605/4885

“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.