SCHEMBL2271103

SCHEMBL2271103

Nc1nc2c(-c3ccc(F)c(F)c3)ccc(C(F)(F)F)n2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 6/20 0.45
GAA P10253 5/20 0.45
GLA P06280 3/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 4/20 0.44
THRB P10828 1/20 0.44
JAK2 O60674 1/20 0.43
MAPT P10636 1/20 0.39
KPNA2 P52292 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
FEN1 P39748 5/20 0.36
ALOX5AP P20292 4/20 0.36
POLB P06746 1/20 0.36
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL18615275 0.82 JAK2 (0.59) KDM4EALDH1A1GAAGLAPKM
SCHEMBL18615026 0.82 KDM4E (0.39) KDM4EALDH1A1GAAGLAPKM
SCHEMBL21886983 0.81 JAK2 (0.47) KDM4EALDH1A1GAAGLAPKM
SCHEMBL18615075 0.81 ADORA2A (0.47) KDM4EALDH1A1GAAGLAPKM
SCHEMBL2249571 0.74 JAK2 (0.52) KDM4EALDH1A1JAK2CYP1A2CYP2C9
SCHEMBL18615183 0.73 JAK2 (0.39) KDM4EALDH1A1GAAGLAPKM
SCHEMBL2257705 0.72 JAK2 (0.64) KDM4EALDH1A1JAK2FEN1ALOX5AP
SCHEMBL18615118 0.71 KDM4E (0.40) KDM4EALDH1A1GAAGLAPKM
SCHEMBL2256469 0.71 JAK2 (0.42) KDM4EALDH1A1GAAGLAPKM
SCHEMBL2144714 0.70 JAK2 (0.60) KDM4EALDH1A1GAAGLAPKM

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 KDM4E 3666/4885ALDH1A1 1444/4885GAA 1193/4885

“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.