SCHEMBL6906763

SCHEMBL6906763

COCC(=O)N1CC=C(c2cc(C)cn3nc(NC4CCN(c5cc(C)ncn5)CC4)nc23)CC1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.37
JAK2 O60674 10/20 0.37

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
SCHEMBL2272618 0.90 JAK1 (0.47) JAK1JAK2
SCHEMBL2275585 0.89 JAK1 (0.37) JAK1JAK2
SCHEMBL2272020 0.87 JAK1 (0.41) JAK1JAK2
SCHEMBL2275999 0.87 KIT (0.39) JAK1JAK2
SCHEMBL2273588 0.80 PSEN1 (0.36)
SCHEMBL2273026 0.79 JAK2 (0.35) JAK1JAK2
SCHEMBL2270828 0.79 TAF1 (0.35)
SCHEMBL17907539 0.77 SMPD3 (0.34)
SCHEMBL2273594 0.77 PSEN1 (0.37)
SCHEMBL2275498 0.73 HRH4 (0.36)

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-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

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 JAK1 4402/4885JAK2 3153/4885

“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.