SCHEMBL2269147

SCHEMBL2269147

Cc1cc(N2CCC(Nc3nc4c(-c5ccc(C#N)cc5)cccn4n3)CC2)ncn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.48
PTK2 Q05397 4/20 0.48
JAK3 P52333 3/20 0.48
PSEN1 P49768 14/20 0.46
PSEN2 P49810 14/20 0.46
APH1B Q8WW43 14/20 0.46
NCSTN Q92542 14/20 0.46
APH1A Q96BI3 14/20 0.46
PSENEN Q9NZ42 14/20 0.46
JAK1 P23458 1/20 0.40
KDM1A O60341 1/20 0.38

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
SCHEMBL2272771 0.92 LRRK2 (0.43) JAK2PTK2JAK3PSEN1PSEN2
SCHEMBL12453968 0.90 PSEN1 (0.46) JAK2PTK2JAK3PSEN1PSEN2
SCHEMBL17915480 0.88 PSEN1 (0.56) JAK2PTK2JAK3PSEN1PSEN2
SCHEMBL2272437 0.87 PSEN1 (0.44) JAK2PTK2JAK3PSEN1PSEN2
SCHEMBL2270370 0.86 PSEN1 (0.46) JAK2PTK2JAK3PSEN1PSEN2
SCHEMBL2274570 0.86 PSEN1 (0.44) JAK2PTK2JAK3PSEN1PSEN2
SCHEMBL2277703 0.85 PSEN1 (0.46) JAK2PTK2PSEN1PSEN2APH1B
SCHEMBL2270873 0.85 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2274506 0.85 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2276377 0.84 PSEN1 (0.43) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536710-B1 PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-07-13 EP disclosed
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-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
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 JAK2 3153/4885PTK2 1849/4885JAK3 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.