SCHEMBL214644

SCHEMBL214644

NC(=O)c1[nH]cnc1C(=O)Nc1ccc(OCCCN2CCNCC2)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ITGB3 P05106 6/20 0.38
ITGA2B P08514 6/20 0.38
EPHX2 P34913 4/20 0.38
ULK1 O75385 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
XDH P47989 1/20 0.38
AVPR1B P47901 1/20 0.37
ALK Q9UM73 1/20 0.37
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36

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
SCHEMBL2735363 0.84 NPC1 (0.40) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL216428 0.77 ITGB3 (0.38) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL214532 0.76 ITGB3 (0.39) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL214645 0.75 ALDH1A1 (0.41) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL215917 0.75 NPC1 (0.41) ALDH1A1MAPTSMN1; SMN2HRH3
SCHEMBL216429 0.75 MEN1 (0.36) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL214533 0.74 MEN1 (0.36) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL215873 0.73 CHEK2 (0.53) ALDH1A1SMN1; SMN2HRH3
SCHEMBL214760 0.73 MEN1 (0.41) MEN1MAPTKMT2AEPHX2
SCHEMBL214643 0.72 ALDH1A1 (0.41) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed

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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 MEN1 3504/4885ALDH1A1 4295/4885MAPT 2138/4885

“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.