SCHEMBL216765

SCHEMBL216765

Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2ccc(N3CCNCC3)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.41
RPS6KA2 Q15349 1/20 0.39
GAA P10253 1/20 0.38
BACE1 P56817 2/20 0.37
HDAC3 O15379 2/20 0.36
MAPT P10636 5/20 0.36
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
OPRL1 P41146 1/20 0.36
MEN1 O00255 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BRD4 O60885 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL214507 0.94 GAA (0.38) KCNH2GAABACE1HDAC3MAPT
Hydrochloric Acid SCHEMBL215305 0.93 GAA (0.38) KCNH2GAABACE1HDAC3MAPT
SCHEMBL214480 0.91 HRH4 (0.42) RPS6KA2GAAHDAC3MAPTKDM4E
SCHEMBL2735463 0.88 GAA (0.47) GAAMAPTKDM4EALDH1A1KMT2A
SCHEMBL214921 0.86 KCNH2 (0.42) KCNH2RPS6KA2GAAMAPTKDM4E
SCHEMBL3988304 0.85 KDM4E (0.41) KCNH2GAAMAPTKDM4EALDH1A1
SCHEMBL2735461 0.83 GAA (0.43) GAABACE1MAPTKDM4EALDH1A1
SCHEMBL2735358 0.83 GAA (0.44) KCNH2GAAHDAC3MAPTKDM4E
SCHEMBL2735449 0.83 ALDH1A1 (0.41) GAAMAPTKDM4EALDH1A1KMT2A
SCHEMBL2735450 0.83 HRH4 (0.50) KCNH2RPS6KA2GAABRD4LMNA

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 KCNH2 2774/4885RPS6KA2 268/4885GAA 2375/4885

“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.