SCHEMBL214823

SCHEMBL214823

Cc1ccc(Br)cc1-n1cnc(C(N)=O)c1C(=O)Nc1nc2cc(OC3CCNCC3)ccc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.35
GSK3B P49841 5/20 0.35
DYRK1A Q13627 5/20 0.35
WNT1 P04628 4/20 0.35
RAB9A P51151 4/20 0.34
MEN1 O00255 3/20 0.34
NPC1 O15118 3/20 0.34
KMT2A Q03164 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TOP2A P11388 3/20 0.33
HSP90AB1 P08238 2/20 0.33
PLK1 P53350 1/20 0.33
PLK3 Q9H4B4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KHK P50053 1/20 0.32
KDM1A O60341 1/20 0.31
HPGDS O60760 1/20 0.31

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
Hydrochloric Acid SCHEMBL213800 0.99 CHEK2 (0.35) CHEK2GSK3BDYRK1AWNT1RAB9A
SCHEMBL216260 0.91 CHEK2 (0.35) CHEK2GSK3BDYRK1AWNT1RAB9A
SCHEMBL214620 0.91 CHEK2 (0.39) CHEK2RAB9AMEN1NPC1KMT2A
Hydrochloric Acid SCHEMBL216946 0.91 TOP2A (0.35) CHEK2GSK3BDYRK1AWNT1RAB9A
Hydrochloric Acid SCHEMBL216277 0.90 CHEK2 (0.39) CHEK2RAB9AMEN1NPC1KMT2A
SCHEMBL215291 0.87 MAPT (0.34) GSK3BRAB9AMEN1NPC1KMT2A
SCHEMBL213710 0.86 ITGB3 (0.37) CHEK2MEN1KMT2ALMNA
SCHEMBL215858 0.86 TOP2A (0.35) RAB9AMEN1NPC1KMT2ATOP2A
Hydrochloric Acid SCHEMBL213384 0.85 ITGB3 (0.38) CHEK2MEN1KMT2ALMNA
SCHEMBL213684 0.85 ITGB3 (0.38) CHEK2LMNA

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 CHEK2 412/4885GSK3B 175/4885DYRK1A 311/4885

“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.