SCHEMBL216607

SCHEMBL216607

NC(=O)c1c(C(=O)NCCN2CCOCC2)ncn1-c1nc2ccccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
KDM4E B2RXH2 9/20 0.50
ALDH1A1 P00352 7/20 0.50
HSD17B10 Q99714 6/20 0.50
GAA P10253 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 3/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 5/20 0.45
MAPT P10636 3/20 0.45
GLA P06280 3/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
ATM Q13315 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
USP2 O75604 3/20 0.43

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
SCHEMBL215285 0.81 LTA4H (0.46) KDM4EALDH1A1HSD17B10GAASMN1; SMN2
SCHEMBL213323 0.80 LTA4H (0.46) TSHRKDM4EALDH1A1HSD17B10RAB9A
SCHEMBL214316 0.80 BTK (0.42) KDM4EHSD17B10GAA
SCHEMBL213970 0.80 SMN1; SMN2 (0.48) KDM4EALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL213906 0.78 CNR1 (0.44) TSHRHSD17B10GAASMN1; SMN2HTT
SCHEMBL213583 0.77 SLC40A1 (0.48) KDM4EALDH1A1HSD17B10
SCHEMBL214366 0.77 FAAH (0.44) ALDH1A1HSD17B10GAASMN1; SMN2HTT
SCHEMBL213719 0.76 ALDH1A1 (0.44) TSHRALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL215699 0.76 MAPT (0.43) KDM4ESMN1; SMN2MAPTLMNAKMT2A
SCHEMBL215115 0.76 SMN1; SMN2 (0.48) ALDH1A1GAASMN1; SMN2HTTRAB9A

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 7 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
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
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 TSHR 2231/4885KDM4E 952/4885ALDH1A1 4295/4885

“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.