SCHEMBL5218211

SCHEMBL5218211

Cc1onc(N)c1-c1cccc(C(C)N)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.66
BRD4 O60885 11/20 0.56
CREBBP Q92793 6/20 0.56
BRD2 P25440 4/20 0.56
JAK2 O60674 1/20 0.41
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
CHEK1 O14757 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
CSF1R P07333 1/20 0.37
MET P08581 1/20 0.37
PDGFRB P09619 1/20 0.37
PIM1 P11309 1/20 0.37
FGFR1 P11362 1/20 0.37
PDGFRA P16234 1/20 0.37
PRKACA P17612 1/20 0.37
LTK P29376 1/20 0.37

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
SCHEMBL5888090 1.00 MAP4K4 (0.66) MAP4K4BRD4CREBBPBRD2JAK2
SCHEMBL5888610 0.87 BRD4 (0.74) MAP4K4BRD4CREBBPBRD2NPC1
SCHEMBL8784588 0.76 MAP4K4 (0.69) MAP4K4BRD4BRD2PTGS1PTGS2
SCHEMBL24726640 0.74 BRD4 (0.78) MAP4K4BRD4CREBBPBRD2NPC1
SCHEMBL5218215 0.72 MAP4K4 (0.64) MAP4K4BRD4CREBBPBRD2JAK2
SCHEMBL15094861 0.72 L3MBTL1 (0.68) BRD4CREBBPBRD2NPC1POLB
SCHEMBL28652776 0.70 BRD4 (0.57) MAP4K4BRD4CREBBPBRD2JAK2
SCHEMBL10145754 0.68 RXRA (0.49)
SCHEMBL1252080 0.68 RXRA (0.49)
SCHEMBL11203809 0.67 RXRA (0.45)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581516-A4 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS BRISTOL MYERS SQUIBB CO (US) 2007-10-17 EP disclosed
US-7135472-B2 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 US disclosed
EP-1581516-A2 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-10-05 EP disclosed
WO-2004047744-A2 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 WO disclosed
US-20040106621-A1 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 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-20040106621-A1 3-Heterocyclic benzylamide derivatives as potassium channel openers KCNQ3, KCNQ5, KCNQ2 MAP4K4 859/4885BRD4 124/4885CREBBP 2156/4885

“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.