SCHEMBL6898413

SCHEMBL6898413

COc1ccc(Nc2ccc(-c3ccc(N(C)C)cc3)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.51
MAPT P10636 6/20 0.51
ALDH1A1 P00352 5/20 0.51
GAA P10253 3/20 0.51
HTT P42858 1/20 0.51
NPC1 O15118 7/20 0.51
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
KDM1A O60341 2/20 0.49
AURKA O14965 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 3/20 0.48
HSD17B10 Q99714 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ESR2 Q92731 1/20 0.48
NOX1 Q9Y5S8 1/20 0.48
HPGD P15428 1/20 0.48
APP P05067 1/20 0.47
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 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
SCHEMBL13356456 0.84 ACP1 (0.54) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL6901262 0.82 PTGES (0.52) RAB9AMAPTALDH1A1HTTNPC1
SCHEMBL3223775 0.78 MAPT (0.71) RAB9AMAPTALDH1A1GAAHTT
SCHEMBL11714214 0.76 APP (0.71) RAB9AMAPTALDH1A1GAANPC1
SCHEMBL13356419 0.75 MAPK1 (0.50) RAB9AMAPTALDH1A1NPC1MEN1
SCHEMBL16488065 0.74 RAB9A (0.62) RAB9AMAPTALDH1A1GAAHTT
SCHEMBL21131515 0.74 MAPT (0.63) RAB9AMAPTALDH1A1GAAHTT
SCHEMBL17682914 0.73 RAB9A (0.61) RAB9AMAPTALDH1A1GAAHTT
SCHEMBL11711833 0.73 NR4A1 (0.62) RAB9AMAPTALDH1A1GAAHTT
SCHEMBL29408378 0.73 RAB9A (0.61) RAB9AMAPTALDH1A1GAAHTT

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 RAB9A 3094/4885MAPT 403/4885ALDH1A1 1986/4885
US-20020198219-A1 2-pyridinamine compositions and related methods AIFM1, CASP5, CASP2 RAB9A 3094/4885MAPT 403/4885ALDH1A1 1986/4885

“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.