SCHEMBL214968

SCHEMBL214968

Cc1ccc(NC(=O)c2nc[nH]c2C(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.60
POLB P06746 3/20 0.59
THRB P10828 1/20 0.57
KDM4E B2RXH2 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 3/20 0.51
HTT P42858 2/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
GFER P55789 1/20 0.51
BCHE P06276 1/20 0.48
LMNA P02545 3/20 0.48
GAA P10253 2/20 0.48
CYP46A1 Q9Y6A2 1/20 0.46

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
SCHEMBL212939 0.81 KDM4E (0.62) USP2POLBKDM4ETDP1ALDH1A1
SCHEMBL213157 0.79 MAPT (0.80) POLBKDM4ETDP1ALDH1A1KMT2A
SCHEMBL214002 0.78 KDM4E (0.53) USP2POLBKDM4ETDP1ALDH1A1
SCHEMBL214765 0.75 KDM4E (0.59) USP2POLBKDM4ETDP1ALDH1A1
SCHEMBL4105577 0.73 GAA (0.55) USP2POLBKDM4ETDP1ALDH1A1
SCHEMBL216711 0.71 ALDH1A1 (0.64) POLBKDM4ETDP1ALDH1A1KMT2A
SCHEMBL214875 0.71 ALDH1A1 (0.60) KDM4EALDH1A1KMT2AHTTMEN1
SCHEMBL2735315 0.69 GAA (0.51) USP2POLBKDM4ETDP1ALDH1A1
SCHEMBL214147 0.69 GAA (0.51) USP2POLBKDM4EALDH1A1KMT2A
SCHEMBL217146 0.69 MAPT (0.52) USP2POLBKDM4ETDP1ALDH1A1

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
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-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
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
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US 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 USP2 615/4885POLB 3464/4885THRB 2480/4885

“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.