SCHEMBL4356065

SCHEMBL4356065

CCOC(=O)c1cc(C#N)c(NCC(=O)NS(=O)(=O)CCc2ccccc2)nc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
KDM4E B2RXH2 6/20 0.55
MAPT P10636 1/20 0.55
HSD17B10 Q99714 1/20 0.54
P2RY12 Q9H244 12/20 0.53
HPGD P15428 4/20 0.47
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CRHBP P24387 1/20 0.44
CRHR2 Q13324 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
SCHEMBL3934625 0.92 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTHSD17B10P2RY12
SCHEMBL3936294 0.82 P2RY12 (0.59) ALDH1A1KDM4EMAPTHSD17B10P2RY12
SCHEMBL3932119 0.81 KDM4E (0.68) ALDH1A1KDM4EMAPTHSD17B10P2RY12
SCHEMBL3600537 0.79 P2RY12 (0.61) ALDH1A1KDM4EP2RY12NPSR1CYP3A4
SCHEMBL3932387 0.78 P2RY12 (0.66) ALDH1A1KDM4EMAPTP2RY12
SCHEMBL3941792 0.74 P2RY12 (0.58) ALDH1A1KDM4EMAPTP2RY12CYP3A4
SCHEMBL5012431 0.74 P2RY12 (0.54) ALDH1A1KDM4EP2RY12NPSR1CYP3A4
SCHEMBL5141328 0.73 P2RY12 (0.55) ALDH1A1P2RY12CYP3A4CYP2C9
SCHEMBL3596659 0.71 P2RY12 (0.81) ALDH1A1P2RY12CYP3A4CYP2C9
SCHEMBL3586432 0.71 P2RY12 (0.62) ALDH1A1KDM4EP2RY12NPSR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286834-A1 Pyridine Analogues VI ASTRAZENECA AB (SE) 2009-11-19 US disclosed
US-20080045494-A1 Pyridine Analogues VI ASTRAZENECA AB (SE) 2008-02-21 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 (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-20080045494-A1 Pyridine Analogues VI P2RY12, P2RY6, P2RY11 ALDH1A1 1604/4885KDM4E 2038/4885MAPT 4391/4885
US-20090286834-A1 Pyridine Analogues VI P2RY12, P2RY6, P2RY11 ALDH1A1 1888/4885KDM4E 3490/4885MAPT 3733/4885

“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.