SCHEMBL2273504

SCHEMBL2273504

Cc1cc(-c2ccccc2)c2nc(N)nn2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.46
KDM4E B2RXH2 5/20 0.44
MAP4K4 O95819 1/20 0.43
PAK4 O96013 1/20 0.43
CSF1R P07333 1/20 0.43
RET P07949 1/20 0.43
GRK5 P34947 1/20 0.43
MAPK8 P45983 1/20 0.43
CSNK1A1 P48729 1/20 0.43
ACVR1 Q04771 1/20 0.43
PTK2 Q05397 1/20 0.43
TYRO3 Q06418 1/20 0.43
MAP4K2 Q12851 1/20 0.43
DYRK1A Q13627 1/20 0.43
IKBKE Q14164 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42

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
SCHEMBL2251336 0.85 JAK2 (0.43) JAK2KDM4EALDH1A1HPGDNPC1
SCHEMBL19677996 0.84 MAP4K4 (0.53) JAK2KDM4EMAP4K4PAK4CSF1R
SCHEMBL2253478 0.81 ALDH1A1 (0.42) JAK2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2250605 0.79 JAK1 (0.40) JAK2KDM4EALDH1A1HPGDPDPK1
SCHEMBL2276917 0.79 JAK2 (0.40) JAK2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2254096 0.78 CFTR (0.42) JAK2KDM4EACVR1PTK2ALDH1A1
SCHEMBL2249732 0.77 KDR (0.40) JAK2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2249603 0.75 MPL (0.45) JAK2KDM4ECSF1RALDH1A1
SCHEMBL2254399 0.75 KLK3 (0.36) JAK2KDM4EMAP4K4RETCSNK1A1
SCHEMBL2253291 0.74 TLR8 (0.39) JAK2KDM4EALDH1A1PDE10A

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 5 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
EP-2536710-A2 PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-12-26 EP disclosed
WO-2011101304-A2 PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 WO 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 3153/4885KDM4E 3666/4885MAP4K4 4525/4885

“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.