SCHEMBL2273807

SCHEMBL2273807

Clc1ccc(-c2cccn3nc(Br)nc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 2/20 0.47
ALDH1A2 O94788 1/20 0.47
JAK2 O60674 9/20 0.47
AHR P35869 2/20 0.42
NUDT1 P36639 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
KDM4E B2RXH2 2/20 0.41
JAK3 P52333 6/20 0.40
PTK2 Q05397 2/20 0.40
JAK1 P23458 1/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL15796871 0.86 JAK2 (0.48) ALDH1A3ALDH1A2JAK2AHRJAK3
SCHEMBL15796893 0.85 JAK2 (0.50) ALDH1A3ALDH1A2JAK2AHRPSEN1
SCHEMBL2254333 0.84 JAK2 (0.49) ALDH1A3JAK2AHRPSEN1PSEN2
SCHEMBL2271283 0.82 JAK2 (0.44) JAK2AHRPSEN1PSEN2APH1B
SCHEMBL2251442 0.81 JAK2 (0.70) ALDH1A3ALDH1A2JAK2NUDT1PSEN1
SCHEMBL15796885 0.81 JAK2 (0.43) JAK2AHRNUDT1JAK3PTK2
SCHEMBL18615184 0.81 JAK2 (0.46) JAK2AHRJAK3PTK2JAK1
SCHEMBL18615094 0.81 JAK2 (0.54) JAK2JAK3PTK2JAK1
SCHEMBL18615228 0.81 JAK2 (0.71) JAK2AHRJAK3PTK2
SCHEMBL12517037 0.79 NUDT1 (0.52) JAK2AHRNUDT1PSEN1PSEN2

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 ALDH1A3 2334/4885ALDH1A2 1619/4885JAK2 3153/4885

“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.