SCHEMBL2273175

SCHEMBL2273175

Nc1ncn(Cc2ccc(Cl)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP2A6 P11509 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2B6 P20813 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
NOTUM Q6P988 1/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
STAT3 P40763 1/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HSP90AB1 P08238 1/20 0.39

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
SCHEMBL2276464 0.84 LMNA (0.50) CYP11B1CYP11B2CYP19A1MAPTKMT2A
SCHEMBL2275411 0.84 SMN1; SMN2 (0.44) POLBCYP11B1CYP11B2CYP19A1SMN1; SMN2
SCHEMBL2277510 0.84 L3MBTL1 (0.36) POLBGAAMEN1MAPTKMT2A
SCHEMBL2360983 0.83 CYP19A1 (0.47) POLBGAACYP11B1CYP11B2CYP19A1
SCHEMBL2276412 0.82 CYP11B1 (0.48) POLBCYP11B1CYP11B2SMN1; SMN2HTT
SCHEMBL2359438 0.80 KMT2A (0.49) CYP19A1MEN1MAPTKMT2AHDAC1
SCHEMBL2361329 0.80 CYP19A1 (0.54) CYP11B1CYP11B2CYP19A1
SCHEMBL31272114 0.80 F2R (0.40) POLBMEN1MAPTKMT2ALMNA
SCHEMBL2360476 0.78 SMN1; SMN2 (0.45) SMN1; SMN2HTTMEN1KMT2ALMNA
SCHEMBL28206138 0.78 CYP11B1 (0.41) POLBGAAGFERCYP11B1CYP11B2

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 9 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
US-8288403-B2 Heterocyclic gamma secretase modulators HOFFMANN-LA ROCHE INC. (US) 2012-10-16 US 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
EP-2355817-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS F. Hoffmann-La Roche AG (CH) 2011-08-17 EP disclosed
WO-2010052199-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-14 WO disclosed
US-20100120874-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS HOFFMANN-LA ROCHE, INC. 2010-05-13 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-20100120874-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS BACE1, APH1A, APP POLB 774/4885GAA 89/4885GFER 4046/4885
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 POLB 896/4885GAA 1193/4885GFER 3667/4885

“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.