SCHEMBL5401190

SCHEMBL5401190

Cc1c[c]cnc1NCCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 1/20 0.38
AURKA O14965 3/20 0.37
FLT3 P36888 3/20 0.37
PLK4 O00444 2/20 0.37
ROCK2 O75116 2/20 0.37
PRKD3 O94806 2/20 0.37
MAP4K4 O95819 2/20 0.37
CDK1 P06493 2/20 0.37
ROS1 P08922 2/20 0.37
FGFR1 P11362 2/20 0.37
PHKG2 P15735 2/20 0.37
PRKACA P17612 2/20 0.37
RPS6KB1 P23443 2/20 0.37
CDK2 P24941 2/20 0.37
MARK3 P27448 2/20 0.37
FLT4 P35916 2/20 0.37
CSNK1D P48730 2/20 0.37
CLK2 P49760 2/20 0.37
GSK3A P49840 2/20 0.37

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
SCHEMBL5403677 0.78 CHEK1 (0.34)
SCHEMBL1400904 0.66 STK17A (0.45) SMN1; SMN2CYP1A2FLT3NPC1RAB9A
SCHEMBL7653336 0.62 KDM4D (0.46) CYP1A2CDK1CDK2CSNK1DCDK5
SCHEMBL22256497 0.62 TYRO3 (0.42) SMN1; SMN2CYP1A2FLT3CDK1CDK2
SCHEMBL10119067 0.62 AURKA (0.64) CYP1A2AURKAFGFR1AURKBALDH1A1
SCHEMBL28077694 0.61 KDM4E (0.40) SMN1; SMN2CYP1A2AURKAFLT3PLK4
SCHEMBL16316149 0.61 SMN1; SMN2 (0.42) SMN1; SMN2CYP1A2AURKAFLT3PLK4
SCHEMBL3518480 0.61
SCHEMBL10742711 0.61 MAPT (0.41) RAB9AALDH1A1KDM4EKMT2AMAPT
SCHEMBL7080994 0.60 FDPS (0.54) SMN1; SMN2CYP1A2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297792-B2 Pyrazolopyridines and pyrazolopyridazines as antidiabetics SMITHKLINE BEECHAM CORPORATION (US) 2007-11-20 US claimed
US-20060223800-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES ADN ANTIDIABETICS GARLAND STEPHEN 2006-10-05 US claimed
US-7109199-B2 Pyrazolopyridines and pyrazolopyridazines as antidiabetics SMITHKLINE BEECHAM CORPORATION (US) 2006-09-19 US claimed
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics SMITHKLINE BEECHAM P.L.C. (GB) 2004-01-29 US claimed
EP-1319001-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM PLC (GB) 2003-06-18 EP claimed
WO-2002024694-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM, P.L.C. (GB) 2002-03-28 WO claimed
US-7297792-B2 Pyrazolopyridines and pyrazolopyridazines as antidiabetics SMITHKLINE BEECHAM CORPORATION (US) 2007-11-20 US disclosed
US-20060223800-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES ADN ANTIDIABETICS GARLAND STEPHEN 2006-10-05 US disclosed
US-7109199-B2 Pyrazolopyridines and pyrazolopyridazines as antidiabetics SMITHKLINE BEECHAM CORPORATION (US) 2006-09-19 US disclosed
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics SMITHKLINE BEECHAM P.L.C. (GB) 2004-01-29 US disclosed
EP-1319001-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM PLC (GB) 2003-06-18 EP disclosed
WO-2002024694-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM, P.L.C. (GB) 2002-03-28 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 (2 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-20060223800-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES ADN ANTIDIABETICS ADK, PDXK, GPR119 SMN1; SMN2 4363/4885CYP1A2 127/4885AURKA 125/4885
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics PDXK, GCK, IAPP SMN1; SMN2 3315/4885CYP1A2 95/4885AURKA 786/4885

“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.