SCHEMBL5794035

SCHEMBL5794035

CN(C)C(=O)C=Cc1ccnc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
ALDH1A1 P00352 5/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
HSP90AA1 P07900 1/20 0.56
ATM Q13315 1/20 0.56
HPGD P15428 5/20 0.52
CYP1A2 P05177 3/20 0.52
HSD17B10 Q99714 2/20 0.52
NQO2 P16083 1/20 0.52
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
LMNA P02545 2/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
MAPK1 P28482 3/20 0.50
KDM4E B2RXH2 2/20 0.50

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
SCHEMBL11796726 0.83 MAPT (0.60) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11796720 0.83 MAPT (0.60) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2385781 0.81 MAPT (0.62) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2385787 0.81 MAPT (0.62) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12251210 0.79 MAPT (0.56) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13874944 0.79 MAPT (0.56) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3528103 0.78 HDAC6 (0.59) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3528098 0.78 HDAC6 (0.59) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7384077 0.76 MAPT (0.57) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12302834 0.76 ALDH1A1 (0.53) MAPTALDH1A1NPC1RAB9ASMN1; SMN2

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-20110053935-A1 FUSED PYRIDINES ACTIVE AS INHIBITORS OF C-MET F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 US disclosed
EP-1725101-A1 2-PYRIDINYL [7-(SUBSTITUTED-PYRIDIN-4-YL) PYRAZOLO[1,5-A] PYRIMIDIN-3-YL] METHANONES DOV Pharmaceutical Inc. (US) 2006-11-29 EP disclosed
US-20050277639-A1 2-Pyridinyl[7-(substituted-pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methanones DOV PHARMACEUTICAL, INC. 2005-12-15 US disclosed
WO-2005084439-A1 2-PYRIDINYL[7-(SUBSTITUTED-PYRIDIN-4-YL) PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]METHANONES DOV PHARMACEUTICAL, INC. (US) 2005-09-15 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-20050277639-A1 2-Pyridinyl[7-(substituted-pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methanones HTR1A, HTR2B, HTR4 MAPT 178/4885ALDH1A1 724/4885NPC1 1131/4885
US-20110053935-A1 FUSED PYRIDINES ACTIVE AS INHIBITORS OF C-MET MET, ROS1, ABL1 MAPT 2769/4885ALDH1A1 550/4885NPC1 2302/4885

“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.