SCHEMBL215161

SCHEMBL215161

Cc1ccc(Br)cc1-n1cnc(C(N)=O)c1C(=O)Nc1ccc(OCC2CCNCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.39
CHEK2 O96017 1/20 0.38
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
RCOR1 Q9UKL0 1/20 0.36
KHK P50053 1/20 0.36
KDR P35968 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP2 Q9UGN5 1/20 0.34

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 SCHEMBL215995 0.99 KDM1A (0.40) KDM1ACHEK2POLBHSP90AA1HSP90AB1
SCHEMBL214381 0.91 KDM1A (0.38) KDM1ACHEK2RCOR1KHKKDR
Hydrochloric Acid SCHEMBL215124 0.90 KDM1A (0.39) KDM1ACHEK2RCOR1KHKKDR
SCHEMBL214620 0.86 CHEK2 (0.39) KDM1ACHEK2KHKKDRNPC1
Hydrochloric Acid SCHEMBL216277 0.85 CHEK2 (0.39) KDM1ACHEK2KHKKDRNPC1
SCHEMBL214745 0.83 KMT2A (0.41) NPC1RAB9ASMN1; SMN2
SCHEMBL214029 0.81 MAPT (0.46) POLBNPC1LMNARAB9ASMN1; SMN2
SCHEMBL213975 0.81 KMT2A (0.42) POLBNPC1LMNARAB9ASMN1; SMN2
SCHEMBL214766 0.80 KDM1A (0.42) KDM1ARCOR1KDRNPC1RAB9A
SCHEMBL215860 0.79 MEN1 (0.38) POLBNPC1LMNARAB9ASMN1; SMN2

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 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 KDM1A 963/4885CHEK2 412/4885POLB 3464/4885

“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.