SCHEMBL5477111

SCHEMBL5477111

CC(C)(C)c1ccc(Nc2cc(NCc3cccc(F)c3)ncn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.53
JAK2 O60674 6/20 0.46
JAK1 P23458 5/20 0.46
EGFR P00533 2/20 0.45
ERBB2 P04626 2/20 0.45
KDM5A P29375 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
NTRK1 P04629 2/20 0.42
PTK2 Q05397 2/20 0.42
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
PDGFRB P09619 1/20 0.41

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
SCHEMBL5474449 0.87 JAK3 (0.51) JAK3JAK2JAK1CLK4LMNA
SCHEMBL5479302 0.84 MEN1 (0.56) JAK3JAK2JAK1EGFRCLK4
SCHEMBL5475280 0.81 CYP1A2 (0.53) CLK4LMNAPOLBMAPTSMN1; SMN2
SCHEMBL5477078 0.81 ABL1 (0.48) JAK3JAK2JAK1ABL1PDGFRB
SCHEMBL5477065 0.80 MAP4K4 (0.42) JAK3PTK2DAPK3MAP4K4ABL1
SCHEMBL5483168 0.80 POLB (0.48) JAK3JAK2JAK1EGFRDYRK1A
SCHEMBL5473957 0.78 MEN1 (0.62) JAK2JAK1EGFRCLK4TNNI3K
SCHEMBL5753334 0.77 TRPV1 (0.56) EGFRERBB2ABL1CLK4LMNA
SCHEMBL5478136 0.76 KCNH2 (0.49) JAK3JAK2MAPTSMN1; SMN2TRPV1
SCHEMBL5466964 0.76 CYP2C19 (0.48) EGFRABL1CSF1RPDGFRBCLK4

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 JAK3 2079/4885JAK2 1675/4885JAK1 2317/4885

“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.