SCHEMBL2274035

SCHEMBL2274035

Nc1ncn(Cc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
MAOB P27338 2/20 0.46
IDO1 P14902 2/20 0.45
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
POLB P06746 1/20 0.44
ABHD6 Q9BV23 1/20 0.43

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
SCHEMBL2274602 0.81 L3MBTL1 (0.61) ALDH1A1SMN1; SMN2HDAC1HDAC6TAAR1
SCHEMBL19086906 0.78 L3MBTL1 (0.67) LMNAKDM4EALDH1A1GAATAAR1
SCHEMBL2276412 0.78 CYP11B1 (0.48) LMNAKDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL29333037 0.78 ALDH1A1 (0.61) LMNAALDH1A1SMN1; SMN2HDAC1HDAC6
SCHEMBL2360983 0.76 CYP19A1 (0.47) KDM4EGAASMN1; SMN2HDAC1HDAC6
SCHEMBL17731532 0.74 POLB (0.50) LMNAKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL3609013 0.74 MEN1 (0.59) LMNAKDM4EALDH1A1GAATSHR
SCHEMBL18971775 0.74 KDM4C (0.56) LMNAKDM4EALDH1A1GAATAAR1
SCHEMBL30606479 0.74 KDR (0.42) KDM4EALDH1A1GAATAAR1MAOB
SCHEMBL8507241 0.74 CYP19A1 (0.60) LMNAKDM4EALDH1A1GAAHDAC1

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 LMNA 679/4885KDM4E 4227/4885ALDH1A1 3285/4885
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 LMNA 453/4885KDM4E 3666/4885ALDH1A1 1444/4885

“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.