SCHEMBL5477205

SCHEMBL5477205

CC(C)(C)c1ccc(Nc2nc(Cl)nc(NCc3ccccc3Cl)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
MAPT P10636 3/20 0.48
MAPK1 P28482 2/20 0.48
NR1I2 O75469 1/20 0.47
AHR P35869 1/20 0.47
JAK2 O60674 1/20 0.47
NTRK1 P04629 1/20 0.47
TYK2 P29597 1/20 0.47
KDR P35968 1/20 0.47
JAK3 P52333 1/20 0.47
PTK2 Q05397 1/20 0.47
PTK2B Q14289 1/20 0.47
NTRK3 Q16288 1/20 0.47
NTRK2 Q16620 1/20 0.47
LMNA P02545 1/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL5467470 0.96 JAK2 (0.47) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL5478182 0.91 JAK2 (0.46) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL5470967 0.91 JAK2 (0.48) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL5483173 0.90 ADORA2A (0.46) NPC1RAB9AKMT2AMAPTJAK2
SCHEMBL5473971 0.88 ALDH1A1 (0.46) RAB9AKMT2AMEN1MAPTMAPK1
SCHEMBL5476762 0.88 KCNH3 (0.48) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL5471818 0.86 POLB (0.52) KMT2AMEN1MAPTMAPK1JAK2
SCHEMBL5466883 0.86 APP (0.46) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL5480527 0.86 KMT2A (0.49) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL5477116 0.81 PTGS2 (0.45) NPC1RAB9AKMT2AMEN1MAPT

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 6 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
US-20070161637-A1 Substituted pyridin-2-ylamine analogues NEUROGEN CORPORATION (US) 2007-07-12 US disclosed
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 NPC1 3482/4885RAB9A 2274/4885KMT2A 2110/4885

“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.