SCHEMBL215714

SCHEMBL215714

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
RAF1 P04049 2/20 0.40
BRAF P15056 2/20 0.40
CHEK2 O96017 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ACHE P22303 2/20 0.36
KDR P35968 2/20 0.36
DYRK3 O43781 1/20 0.36
MAP4K4 O95819 1/20 0.36
PIM1 P11309 1/20 0.36
RPS6KB1 P23443 1/20 0.36
CSNK2A1 P68400 1/20 0.36
PKN2 Q16513 1/20 0.36
PIM3 Q86V86 1/20 0.36
BRSK1 Q8TDC3 1/20 0.36
AURKB Q96GD4 1/20 0.36
HIPK2 Q9H2X6 1/20 0.36

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
SCHEMBL215365 0.88 CHEK2 (0.44) LMNAMAPK1HIF1ABRAFCHEK2
SCHEMBL215870 0.88 CHEK2 (0.45) LMNAMAPK1HIF1ACHEK2SMN1; SMN2
SCHEMBL214940 0.88 HDAC6 (0.38) LMNAMAPK1HIF1AACHEKDR
SCHEMBL216216 0.85 MAP4K4 (0.39) LMNARAF1BRAFSMN1; SMN2KDR
SCHEMBL213579 0.83 LMNA (0.43) LMNAMAPK1HIF1ARAF1BRAF
SCHEMBL213923 0.81 CHEK2 (0.41) CHEK2MEN1KMT2AFLT3KDM4E
SCHEMBL216098 0.81 KCNA5 (0.37) LMNAMAPK1HIF1ACHEK2MEN1
SCHEMBL215845 0.81 IRAK4 (0.39) LMNAMEN1NPC1RAB9AKMT2A
SCHEMBL215374 0.81 ABL1 (0.37) LMNARAF1BRAFMEN1NPC1
SCHEMBL214498 0.81 MAOB (0.36) LMNACHEK2KDRDYRK3MAP4K4

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 3 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-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 LMNA 4821/4885MAPK1 354/4885HIF1A 2098/4885

“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.