SCHEMBL216885

SCHEMBL216885

NC(=O)c1c(C(=O)Nc2ccccc2C(F)(F)F)ncn1-c1nc2ccccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CACNA1G O43497 1/20 0.40
KCNH2 Q12809 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.37
EPHB3 P54753 1/20 0.37
PARP1 P09874 1/20 0.37
CYP3A4 P08684 1/20 0.37
SLC11A2 P49281 1/20 0.36
HTT P42858 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
SCHEMBL214272 0.91 KDM4E (0.39) KDM4ENPC1RAB9ALMNASMN1; SMN2
SCHEMBL216096 0.86 ATR (0.43) LMNAMAPK1CYP3A4HTT
SCHEMBL214872 0.86 MAPT (0.42) KDM4ECACNA1GNPC1RAB9ALMNA
SCHEMBL214646 0.85 EPHB3 (0.44) KDM4ECACNA1GLMNASMN1; SMN2EPHB3
SCHEMBL214714 0.85 MAPT (0.44) KDM4ENPC1RAB9ALMNAMAPK1
SCHEMBL215644 0.85 KDM4E (0.41) KDM4ENPC1RAB9ALMNASMN1; SMN2
SCHEMBL214789 0.84 KDM4E (0.47) KDM4EMAPK1PARP1
SCHEMBL215043 0.83 KDM4E (0.38) KDM4ENPC1RAB9ASMN1; SMN2TP53
SCHEMBL215595 0.83 ALDH1A1 (0.46) KDM4ENPC1RAB9ALMNASMN1; SMN2
SCHEMBL216074 0.83 KDM4E (0.43) KDM4ENPC1RAB9ALMNASMN1; 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 6 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
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 CNR1 2616/4885CNR2 851/4885KDM4E 952/4885

“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.