SCHEMBL6901262

SCHEMBL6901262

CCCCCOc1ccc(Nc2ccc(-c3ccc(N(C)C)cc3)cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.52
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
MCL1 Q07820 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.42
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 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
SCHEMBL6898413 0.82 RAB9A (0.51) RAB9ANPC1MEN1KMT2ACYP3A4
SCHEMBL6899317 0.78 MAPT (0.47) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL6899514 0.78 L3MBTL1 (0.54) RARBL3MBTL1
SCHEMBL7057377 0.77 DYRK3 (0.54) RAB9ANPC1MEN1KMT2ACYP3A4
SCHEMBL6893892 0.76 KCNH2 (0.45) CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL29381835 0.76 RARB (0.59) RAB9ANPC1CYP3A4CYP2D6CYP19A1
SCHEMBL23302979 0.76 PTGES (0.62) PTGESRAB9ANPC1KDM4EALDH1A1
SCHEMBL1263398 0.76 PTGES (0.62) PTGESRAB9ANPC1KDM4EALDH1A1
SCHEMBL11001964 0.76 PTGES (0.62) PTGESRAB9ANPC1KDM4EALDH1A1
SCHEMBL11000930 0.76 PTGES (0.62) PTGESRAB9ANPC1KDM4EALDH1A1

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 PTGES 517/4885RAB9A 3094/4885NPC1 1405/4885
US-20020198219-A1 2-pyridinamine compositions and related methods AIFM1, CASP5, CASP2 PTGES 517/4885RAB9A 3094/4885NPC1 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.