SCHEMBL408383

SCHEMBL408383

COC(=O)CCc1ccc2c(-c3c(-c4cccc(C)n4)nn4ccccc34)ccnc2c1.Cc1cccc(-c2nn3ccccc3c2-c2ccnc3cc(OCCCn4c(=O)[nH]c5ccccc54)ccc23)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.39
MAPK14 Q16539 3/20 0.39
THRB P10828 2/20 0.39
POLB P06746 1/20 0.35
PDE3B Q13370 3/20 0.34
PDE3A Q14432 3/20 0.34
P2RY12 Q9H244 3/20 0.34
PDE2A O00408 2/20 0.34
GCK P35557 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
GAK O14976 1/20 0.32
RIPK2 O43353 1/20 0.32
MAP4K4 O95819 1/20 0.32
KDR P35968 1/20 0.32
ACVR1B P36896 1/20 0.32
TGFBR2 P37173 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32
TGFB2 P61812 1/20 0.32

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
SCHEMBL4868366 0.91 TGFBR1 (0.46) TGFBR1MAPK14THRBPOLBTGFBR2
SCHEMBL4874409 0.86 TGFBR1 (0.43) TGFBR1MAPK14THRBGAKRIPK2
SCHEMBL411895 0.78 TGFBR1 (0.45) TGFBR1MAPK14THRBGAKRIPK2
SCHEMBL413735 0.76 TGFBR1 (0.51) TGFBR1MAPK14THRBTGFBR2
SCHEMBL409552 0.76 TGFBR1 (0.53) TGFBR1MAPK14THRBGAKRIPK2
SCHEMBL29832378 0.76 TGFBR1 (0.53) TGFBR1MAPK14THRBKDRTGFBR2
SCHEMBL4865494 0.76 TGFBR1 (0.53) TGFBR1MAPK14THRBKDRTGFBR2
SCHEMBL4864349 0.75 TGFBR1 (0.65) TGFBR1MAPK14THRBGAKRIPK2
SCHEMBL4863433 0.74 TGFBR1 (0.58) TGFBR1MAPK14THRBGAKRIPK2
SCHEMBL412950 0.74 TGFBR1 (0.54) TGFBR1MAPK14THRBTGFBR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160115447-A1 COMPOSITIONS AND METHODS FOR IMPROVING INDUCED NEURON GENERATION HOWARD HUGHES MEDICAL INSTITUTE 2016-04-28 US disclosed
US-20140120621-A1 TGF-BETA RECEPTOR INHIBITORS TO ENHANCE DIRECT REPROGRAMMING THE GENERAL HOSPITAL CORPORATION (US) 2014-05-01 US disclosed
US-8603818-B1 TGF-beta receptor inhibitors to enhance direct reprogramming THE GENERAL HOSPITAL CORPORATION (US) 2013-12-10 US disclosed
US-8298825-B1 TGF-beta receptor inhibitors to enhance direct reprogramming THE GENERAL HOSPITAL CORPORATION (US) 2012-10-30 US disclosed
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
EP-1543001-A1 NOVEL PYRAZOLOPYRIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2005-06-22 EP disclosed
WO-2004026871-A1 NOVEL PYRAZOLOPYRIDINE DERIVATVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-04-01 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 (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-20160115447-A1 COMPOSITIONS AND METHODS FOR IMPROVING INDUCED NEURON GENERATION PLK1, GAP43, NEFM TGFBR1 2217/4885MAPK14 421/4885THRB 2669/4885

“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.