SCHEMBL6893892

SCHEMBL6893892

CCCCCOc1ccc(Nc2ccc(-c3ccccc3OC)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
FAAH O00519 12/20 0.43
CDC25B P30305 1/20 0.42
USP2 O75604 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
WNT3A P56704 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
CLK4 Q9HAZ1 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
SCHEMBL6901262 0.76 PTGES (0.52) ALDH1A1MAPK1CYP3A4CYP2D6TSHR
SCHEMBL1736579 0.74 JAK2 (0.50) KCNH2HRH3ALDH1A1MAPK1USP2
SCHEMBL6899514 0.73 L3MBTL1 (0.54) LMNA
SCHEMBL206944 0.73 VCP (0.64) ALDH1A1CYP1A2LMNA
SCHEMBL205560 0.73 VCP (0.64) ALDH1A1CYP1A2LMNA
SCHEMBL28141538 0.72 LTA4H (0.56) KCNH2HRH3CYP1A2CYP3A4CYP2D6
SCHEMBL28142366 0.72 LTA4H (0.56) KCNH2HRH3CYP1A2CYP3A4CYP2D6
SCHEMBL7057377 0.72 DYRK3 (0.54) KCNH2HRH3ALDH1A1MAPK1USP2
SCHEMBL30682518 0.71 LTA4H (0.58) HRH3FAAHCYP3A4CYP2D6TSHR
SCHEMBL28158844 0.71 SYK (0.59) KCNH2HRH3ALDH1A1CYP1A2CYP2C19

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 KCNH2 703/4885HRH3 651/4885ALDH1A1 1986/4885
US-20020198219-A1 2-pyridinamine compositions and related methods AIFM1, CASP5, CASP2 KCNH2 703/4885HRH3 651/4885ALDH1A1 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.