SCHEMBL6899317

SCHEMBL6899317

CCCCCOc1ccc(Nc2ccc(-c3ccc(N4CCOCC4)cc3)cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 4/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
HTR2A P28223 1/20 0.44
SCN1A P35498 1/20 0.44
HTR2B P41595 1/20 0.44
KCNH2 Q12809 1/20 0.44
SCN2A Q99250 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
SCN3A Q9NY46 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL27859193 0.79 MAPK1 (0.63) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL8603615 0.79 MAPK1 (0.63) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL6901262 0.78 PTGES (0.52) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL4723804 0.78 ALDH1A1 (0.69) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL7057377 0.76 DYRK3 (0.54) MAPTSMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL6895297 0.75 PLK4 (0.52) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL6899514 0.73 L3MBTL1 (0.54) L3MBTL1LMNA
SCHEMBL18405944 0.73 ALDH1A1 (0.55) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL4724739 0.72 ALDH1A1 (0.59) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL7072639 0.72 MAPT (0.56) MAPTKCNH2ABL1MAPK10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1635890-A Neuroprotective 2-pyridinamine compositions and related methods ORTHO MCNEIL PHARM INC (US) 2005-07-06 CN claimed
JP-2004510707-A 2004-04-08 JP claimed
US-20030225085-A1 2-pyridinamine compositions and related methods GRANT ELFRIDA R (US) 2003-12-04 US claimed
EP-1317266-A2 NEUROPROTECTIVE 2-PYRIDINAMINE COMPOSITIONS AND RELATED METHODS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-06-11 EP claimed
US-20020198219-A1 2-pyridinamine compositions and related methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-12-26 US claimed
WO-2002011724-A2 NEUROPROTECTIVE 2-PYRIDINAMINE COMPOSITIONS AND RELATED METHODS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-14 WO claimed
CN-1635890-A Neuroprotective 2-pyridinamine compositions and related methods ORTHO MCNEIL PHARM INC (US) 2005-07-06 CN disclosed
US-20030225085-A1 2-pyridinamine compositions and related methods GRANT ELFRIDA R (US) 2003-12-04 US disclosed
EP-1317266-A2 NEUROPROTECTIVE 2-PYRIDINAMINE COMPOSITIONS AND RELATED METHODS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-06-11 EP disclosed
US-20020198219-A1 2-pyridinamine compositions and related methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-12-26 US disclosed
WO-2002011724-A2 NEUROPROTECTIVE 2-PYRIDINAMINE COMPOSITIONS AND RELATED METHODS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-14 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-20030225085-A1 2-pyridinamine compositions and related methods AIFM1, CASP5, CASP2 MAPT 403/4885SMN1; SMN2 37/4885NPC1 1405/4885
US-20020198219-A1 2-pyridinamine compositions and related methods AIFM1, CASP5, CASP2 MAPT 403/4885SMN1; SMN2 37/4885NPC1 1405/4885

“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.