SCHEMBL214620

SCHEMBL214620

Cc1ccc(Br)cc1-n1cnc(C(N)=O)c1C(=O)Nc1nc2cc(OCC3CCNCC3)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 6/20 0.39
ITGB3 P05106 5/20 0.37
ITGA2B P08514 5/20 0.37
KDM1A O60341 1/20 0.35
KHK P50053 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 1/20 0.33
KDR P35968 1/20 0.32
ROCK2 O75116 1/20 0.32
MELK Q14680 1/20 0.32
HTR3A P46098 1/20 0.32
KCNH2 Q12809 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
Hydrochloric Acid SCHEMBL216277 0.99 CHEK2 (0.39) CHEK2ITGB3ITGA2BKDM1AKHK
SCHEMBL214374 0.92 CHEK2 (0.39) CHEK2ITGB3ITGA2BNPC1RAB9A
Hydrochloric Acid SCHEMBL214582 0.91 CHEK2 (0.39) CHEK2ITGB3ITGA2BKDM1ANPC1
SCHEMBL214823 0.91 CHEK2 (0.35) CHEK2KDM1AKHKMEN1NPC1
SCHEMBL215291 0.91 MAPT (0.34) MEN1NPC1RAB9AKMT2ARXFP1
Hydrochloric Acid SCHEMBL213800 0.90 CHEK2 (0.35) CHEK2KDM1AKHKMEN1NPC1
SCHEMBL214814 0.89 CHEK2 (0.40) CHEK2ITGB3ITGA2BKDM1AMEN1
Hydrochloric Acid SCHEMBL215295 0.88 CHEK2 (0.40) CHEK2ITGB3ITGA2BKDM1AMEN1
SCHEMBL213710 0.87 ITGB3 (0.37) CHEK2ITGB3ITGA2BMEN1KMT2A
SCHEMBL213684 0.86 ITGB3 (0.38) CHEK2ITGB3ITGA2B

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 6 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
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

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 412/4885ITGB3 2302/4885ITGA2B 1380/4885

“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.