SCHEMBL5477116

SCHEMBL5477116

CC(C)(C)c1ccc(Nc2nc(Cl)nc(OCc3ccccc3Cl)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.45
RORC P51449 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
NFKB1 P19838 3/20 0.42
NPC1 O15118 2/20 0.42
POLB P06746 2/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 1/20 0.40
JAK2 O60674 1/20 0.40
NTRK1 P04629 1/20 0.40
TYK2 P29597 1/20 0.40
KDR P35968 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
SCHEMBL5471801 0.94 POLB (0.48) PTGS2RORCCA1CA2CA9
SCHEMBL5470986 0.89 RORC (0.43) RORCNPC1POLBRAB9AKDM4E
SCHEMBL5470932 0.88 MAPT (0.43) PTGS2RORCCA12CA1CA2
SCHEMBL5473013 0.88 LMNA (0.44) PTGS2RORCCA12CA1CA2
SCHEMBL5477205 0.81 NPC1 (0.49) NFKB1NPC1POLBRAB9AKDM4E
SCHEMBL5467459 0.81 LMNA (0.47) RORCPOLBMEN1KMT2AMAPT
SCHEMBL5476172 0.80 MEN1 (0.43) RORCCA1CA2CA9POLB
SCHEMBL5471818 0.80 POLB (0.52) RORCCA1CA2CA9NFKB1
SCHEMBL5479371 0.80 PTGS2 (0.45) PTGS2RORCNFKB1POLBKDM4E
SCHEMBL5474346 0.79 PDE4B (0.46) CA1CA2CA9POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161637-A1 Substituted pyridin-2-ylamine analogues NEUROGEN CORPORATION (US) 2007-07-12 US claimed
EP-1648877-A1 SUBSTITUTED PYRIDIN-2-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2006-04-26 EP claimed
WO-2005009980-A1 SUBSTITUTED PYRIDIN-2-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2005-02-03 WO claimed
US-20070161637-A1 Substituted pyridin-2-ylamine analogues NEUROGEN CORPORATION (US) 2007-07-12 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-20070161637-A1 Substituted pyridin-2-ylamine analogues PIGS, GPR35, GPR174 PTGS2 1015/4885RORC 506/4885CA12 4847/4885

“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.