SCHEMBL214645

SCHEMBL214645

NC(=O)c1nc(-c2ccc(OCCCN3CCNCC3)cc2C(F)(F)F)[nH]c1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHEK2 O96017 1/20 0.40
HRH2 P25021 2/20 0.39
HRH1 P35367 2/20 0.39
XDH P47989 1/20 0.39
AVPR1B P47901 1/20 0.39
ITGB3 P05106 6/20 0.38
ITGA2B P08514 6/20 0.38
ULK1 O75385 1/20 0.38
HRH4 Q9H3N8 2/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38

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
SCHEMBL214643 0.76 ALDH1A1 (0.41) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL214644 0.75 MEN1 (0.39) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL215874 0.73 CHEK2 (0.65) CHEK2HRH4PARP1HRH3PDE3B
SCHEMBL216429 0.71 MEN1 (0.36) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL214533 0.70 MEN1 (0.36) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL214347 0.68 MEN1 (0.39) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL5935382 0.67 HRH3 (0.53) HRH1HRH3
SCHEMBL3586261 0.66 HRH3 (0.56) HRH2HRH1HRH3
SCHEMBL7247185 0.66 HRH3 (0.60) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL4235138 0.64 MAOB (0.60) ALDH1A1MEN1MAPTKMT2ASMN1; 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 4 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
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO 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 ALDH1A1 4295/4885MEN1 3504/4885MAPT 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.