SCHEMBL8967324

SCHEMBL8967324

COc1cccc(C2CN(c3ccc(C(F)(F)F)c(C(=O)c4cccnc4)n3)CCN2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.47
GSK3B P49841 5/20 0.46
CYP2D6 P10635 3/20 0.46
PRKCQ Q04759 5/20 0.45
PRKCD Q05655 2/20 0.45
PRKCB P05771 1/20 0.45
PRKCA P17252 1/20 0.45
FLT3 P36888 1/20 0.45
PRKCE Q02156 1/20 0.45
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
KRAS P01116 1/20 0.38
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
KLK7 P49862 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL8967274 0.90 PRKCQ (0.46) PDE10AGSK3BCYP2D6PRKCQPRKCD
SCHEMBL8968438 0.88 PRKCQ (0.45) PDE10AGSK3BPRKCQPRKCDPRKCB
SCHEMBL8966447 0.88 PRKCQ (0.48) PDE10AGSK3BPRKCQPRKCDPRKCB
SCHEMBL8967937 0.88 PRKCQ (0.48) PDE10AGSK3BPRKCQPRKCDPRKCB
SCHEMBL8967927 0.88 PRKCQ (0.48) PDE10AGSK3BPRKCQPRKCDPRKCB
SCHEMBL9012705 0.85 PRKCQ (0.64) PDE10AGSK3BCYP2D6PRKCQPRKCD
SCHEMBL15930718 0.85 PRKCQ (0.53) PDE10AGSK3BCYP2D6PRKCQPRKCD
SCHEMBL8966874 0.83 PRKCQ (0.47) PDE10AGSK3BPRKCQPRKCDPRKCB
SCHEMBL8967995 0.81 PRKCQ (0.56) PRKCQPRKCDPRKCBPRKCAFLT3
SCHEMBL11993740 0.80 PRKCQ (0.54) PDE10AGSK3BCYP2D6PRKCQPRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815866-B2 Aminopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-26 US disclosed
US-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-20130137703-A1 AMINOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-30 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PDE10A 900/4885GSK3B 152/4885CYP2D6 3113/4885
US-20130137703-A1 AMINOPYRIDINE KINASE INHIBITORS MAP3K5, MAP3K20, MAP4K5 PDE10A 951/4885GSK3B 346/4885CYP2D6 2487/4885

“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.