SCHEMBL216764

SCHEMBL216764

Cc1ccc(Br)cc1-n1cnc(C(N)=O)c1C(=O)Nc1nc2ccc(N3CCNCC3)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.40
RPS6KA2 Q15349 1/20 0.38
OPRL1 P41146 1/20 0.37
MAPK14 Q16539 9/20 0.36
BRD4 O60885 1/20 0.34
HDAC3 O15379 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 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
SCHEMBL214506 0.94 MAPK14 (0.34) KCNH2MAPK14HDAC3KDM4ELMNA
Hydrochloric Acid SCHEMBL215304 0.93 MAPK14 (0.34) KCNH2MAPK14HDAC3KDM4ELMNA
SCHEMBL214479 0.91 HRH4 (0.41) KCNH2RPS6KA2OPRL1MAPK14HDAC3
SCHEMBL214920 0.86 MAPK14 (0.42) KCNH2MAPK14
SCHEMBL214523 0.83 MAPK14 (0.35) KCNH2MAPK14KDM4ELMNAMAPT
SCHEMBL215845 0.82 IRAK4 (0.39) KDM4ELMNAMAPTRAB9A
SCHEMBL215374 0.82 ABL1 (0.37) KDM4ELMNAMAPTRAB9A
SCHEMBL215772 0.82 AURKA (0.35) KCNH2MAPK14
SCHEMBL214889 0.82 JAK2 (0.39) MAPK14HDAC3LMNAMAPTRAB9A
SCHEMBL214519 0.81 TBK1 (0.38) MAPK14

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 268/4885OPRL1 2545/4885

“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.