SCHEMBL6904793

SCHEMBL6904793

C=COc1ccc(-c2cccn3nc(NC4CCN(c5ccncc5)CC4)nc23)cc1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 10/20 0.43
JAK2 O60674 10/20 0.43
JAK3 P52333 10/20 0.43
PSEN1 P49768 9/20 0.41
PSEN2 P49810 9/20 0.41
APH1B Q8WW43 9/20 0.41
NCSTN Q92542 9/20 0.41
APH1A Q96BI3 9/20 0.41
PSENEN Q9NZ42 9/20 0.41
CYP3A4 P08684 1/20 0.37
PI4KB Q9UBF8 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
SCHEMBL2271503 0.87 PSEN1 (0.46) PTK2JAK2JAK3PSEN1PSEN2
SCHEMBL2270188 0.77 PSEN1 (0.48) PTK2JAK2JAK3PSEN1PSEN2
SCHEMBL12454756 0.77 PSEN1 (0.46) PTK2JAK2JAK3PSEN1PSEN2
SCHEMBL2273701 0.77 PSEN1 (0.48) PTK2JAK2JAK3PSEN1PSEN2
SCHEMBL2271694 0.76 PSEN1 (0.45) PTK2JAK2JAK3PSEN1PSEN2
SCHEMBL2273357 0.76 PSEN1 (0.54) PTK2JAK2JAK3PSEN1PSEN2
SCHEMBL2274735 0.76 PSEN1 (0.47) PTK2JAK2JAK3PSEN1PSEN2
SCHEMBL2272335 0.73 PSEN1 (0.48) PTK2JAK2JAK3PSEN1PSEN2
SCHEMBL17915612 0.72 PSEN1 (0.46) PTK2JAK2JAK3PSEN1PSEN2
SCHEMBL2269987 0.72 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A

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-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 US disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 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-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 PTK2 1849/4885JAK2 3153/4885JAK3 4312/4885

“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.