SCHEMBL213583

SCHEMBL213583

NC(=O)c1c(C(=O)NCc2ccccn2)ncn1-c1nc2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 12/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPK10 P53779 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ADORA2A P29274 2/20 0.44
ADORA2B P29275 2/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42
STK33 Q9BYT3 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL213970 0.87 SMN1; SMN2 (0.48) KDM4EADORA2AALDH1A1MAPK1
SCHEMBL215699 0.84 MAPT (0.43) KDM4E
SCHEMBL213719 0.84 ALDH1A1 (0.44) SLC40A1ALDH1A1
SCHEMBL213851 0.81 L3MBTL1 (0.46) KDM4EALDH1A1
SCHEMBL215002 0.81 PIK3CD (0.43) SLC40A1KDM4EALDH1A1
SCHEMBL216143 0.81 NPC1 (0.49) KDM4EMAPK10HSD17B10ALDH1A1MAPK1
SCHEMBL213518 0.79 SMN1; SMN2 (0.52) KDM4EALDH1A1
SCHEMBL213906 0.79 CNR1 (0.44) HSD17B10ADORA2AADORA1
SCHEMBL213503 0.78 STK33 (0.39) KDM4EALDH1A1MAPK1STK33
SCHEMBL216607 0.77 TSHR (0.51) KDM4EHSD17B10ALDH1A1

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
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

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 SLC40A1 4619/4885KDM4E 952/4885MAPK10 365/4885

“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.