SCHEMBL216012

SCHEMBL216012

Cc1nc(NC(=O)c2c(C(N)=O)ncn2-c2c(F)cccc2Cl)[nH]c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
P2RX7 Q99572 1/20 0.33
CHRNA7 P36544 2/20 0.33
SCN9A Q15858 1/20 0.33
CD38 P28907 1/20 0.33
MAOB P27338 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL214720 0.93 HCAR1 (0.35) KDM4EALDH1A1NPSR1NPC1RAB9A
SCHEMBL214015 0.75 MAOB (0.53) ALDH1A1NPC1RAB9ASCN9AMAOB
SCHEMBL213884 0.74 HCAR1 (0.33) KDM4EL3MBTL1NPC1RAB9AMEN1
SCHEMBL214580 0.71 TOP2A (0.39) P2RX7
SCHEMBL214391 0.70 RPS6KA2 (0.45) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL213579 0.69 LMNA (0.43) NPSR1SMN1; SMN2
SCHEMBL214529 0.69 HRH3 (0.42) JAK2JAK3MAPTEGFR
SCHEMBL216013 0.69 ALDH1A1 (0.45) KDM4EALDH1A1NPSR1L3MBTL1NPC1
SCHEMBL214609 0.69 MAOB (0.46) KDM4EALDH1A1NPSR1NPC1RAB9A
SCHEMBL215459 0.67 CHEK2 (0.46) KDM4ENPSR1SMN1; SMN2POLB

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 2 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 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 KDM4E 952/4885ALDH1A1 4295/4885NPSR1 4218/4885

“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.