SCHEMBL414211

SCHEMBL414211

Cc1cccc(-c2nn3ccccc3c2-c2ccnc3cc(C(=O)NCCCN4CCCC4)ccc23)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 14/20 0.53
TGFBR2 P37173 6/20 0.50
SMYD2 Q9NRG4 4/20 0.49
MAPK14 Q16539 4/20 0.47
GAK O14976 1/20 0.47
RIPK2 O43353 1/20 0.47
MAP4K4 O95819 1/20 0.47
KDR P35968 1/20 0.47
ACVR1B P36896 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CSNK1D P48730 1/20 0.47
CSNK1E P49674 1/20 0.47
TGFB2 P61812 1/20 0.47
MINK1 Q8N4C8 1/20 0.47
COQ8A Q8NI60 1/20 0.47
TNIK Q9UKE5 1/20 0.47
RIPK3 Q9Y572 1/20 0.47
THRB P10828 3/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL412977 0.95 TGFBR1 (0.51) TGFBR1TGFBR2SMYD2MAPK14GAK
SCHEMBL409683 0.94 TGFBR1 (0.48) TGFBR1TGFBR2SMYD2MAPK14GAK
SCHEMBL413710 0.90 TGFBR1 (0.49) TGFBR1TGFBR2MAPK14GAKRIPK2
SCHEMBL409430 0.90 TGFBR1 (0.49) TGFBR1TGFBR2MAPK14GAKRIPK2
SCHEMBL412491 0.88 TGFBR1 (0.57) TGFBR1TGFBR2MAPK14GAKRIPK2
SCHEMBL5231594 0.88 TGFBR1 (0.49) TGFBR1TGFBR2SMYD2MAPK14GAK
SCHEMBL414681 0.88 TGFBR1 (0.51) TGFBR1TGFBR2MAPK14GAKRIPK2
SCHEMBL412295 0.88 NAMPT (0.50) ALDH1A1
SCHEMBL410777 0.88 TGFBR1 (0.43) TGFBR1TGFBR2SMYD2MAPK14GAK
SCHEMBL414592 0.86 TGFBR1 (0.47) TGFBR1TGFBR2MAPK14GAKRIPK2

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-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-7365066-B2 Pyrazolopyridine derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-04-29 US disclosed
EP-1543001-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TGF BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2007-08-15 EP 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 TGFBR1 3/4885TGFBR2 6/4885SMYD2 3952/4885

“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.