SCHEMBL4732597

SCHEMBL4732597

Cc1cc(Oc2c(C3CC3)nn(C3CCOC3)c2C2CC2)cc(C)c1C#N

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 1/20 0.33
FLT3 P36888 2/20 0.31
MAP3K1 Q13233 2/20 0.31
LRRK2 Q5S007 2/20 0.31
PI4KB Q9UBF8 2/20 0.31
ADAM10 O14672 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
KHK P50053 1/20 0.30
PIK3CA P42336 1/20 0.30
PRKDC P78527 1/20 0.30

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
SCHEMBL4731400 0.94 PDE4D (0.34) MAP3K12LRRK2ALDH1A1HPGDKHK
SCHEMBL4731388 0.93
SCHEMBL14221785 0.86 PIK3CA (0.34) MAP3K12PIK3CAPRKDC
SCHEMBL4733136 0.83 KDM4E (0.33) ALDH1A1HPGD
SCHEMBL4919594 0.82
SCHEMBL4784718 0.82 KDM1A (0.30)
SCHEMBL4781015 0.80 L3MBTL1 (0.35) ALDH1A1
SCHEMBL4110176 0.74 KDM4E (0.34) ALDH1A1
SCHEMBL4731703 0.73
SCHEMBL4109260 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096950-A1 Compounds Useful In Therapy PFIZER INC. 2008-04-24 US claimed
US-20080096950-A1 Compounds Useful In Therapy PFIZER INC. 2008-04-24 US disclosed
WO-2008047224-A1 PYRAZOLYL-4-OXY-BENZONITRILE DERIVATIVES USEFUL IN TREATING ENDOMETRIOSIS PFIZER LIMITED (GB) 2008-04-24 WO disclosed
WO-2008047224-A1 PYRAZOLYL-4-OXY-BENZONITRILE DERIVATIVES USEFUL IN TREATING ENDOMETRIOSIS PFIZER LIMITED (GB) 2008-04-24 WO disclosed
US-20080096950-A1 Compounds Useful In Therapy PFIZER INC. 2008-04-24 US disclosed
US-20080096950-A1 Compounds Useful In Therapy PFIZER INC. 2008-04-24 US 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 (1 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-20080096950-A1 Compounds Useful In Therapy CYP19A1, LPXN, HSD17B11 MAP3K12 2625/4885FLT3 4648/4885MAP3K1 2451/4885

“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.