SCHEMBL5747419

SCHEMBL5747419

O=C(Nc1nc2ccncc2cc1-c1ccc(F)c(F)c1)NC1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.38
CYP11B2 P19099 5/20 0.38
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ROCK2 O75116 2/20 0.33
GPR6 P46095 2/20 0.33
SLC22A12 Q96S37 1/20 0.33
LCK P06239 1/20 0.33
CSF1R P07333 1/20 0.33
KDR P35968 1/20 0.33
MAPK14 Q16539 1/20 0.33
ABL1 P00519 1/20 0.33
PDE5A O76074 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL5748810 0.86 NPC1 (0.50) CYP11B1CYP11B2RAB9ANPC1SMN1; SMN2
SCHEMBL5866958 0.85 FGFR1 (0.36) SMN1; SMN2ROCK2LCKCSF1RKDR
SCHEMBL5750876 0.85 ALDH1A1 (0.38) RAB9ANPC1SMN1; SMN2ROCK2LCK
SCHEMBL5746959 0.84 KDM4C (0.34) SMN1; SMN2ROCK2GPR6HDAC1AAK1
SCHEMBL5748748 0.83 TYK2 (0.44) ROCK2GPR6KDR
SCHEMBL5749479 0.81 CYP46A1 (0.37) RAB9ANPC1SMN1; SMN2ROCK2KDR
SCHEMBL5746318 0.80 LCK (0.36) RAB9ASMN1; SMN2ROCK2GPR6LCK
SCHEMBL5751077 0.79 PDGFRB (0.40) RAB9ANPC1ROCK2GPR6ABL1
SCHEMBL5777109 0.79 GAA (0.39) ROCK2ABL1AAK1GAA
SCHEMBL5750779 0.79 FGFR1 (0.43) CYP11B1CYP11B2SLC22A12KDRABL1

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
EP-1372648-B1 TIE2 RECEPTOR KINASE INHIBITORS FOR TREATING ANGIOGENIC DISEASES SMITHKLINE BEECHAM CORP (US) 2006-03-15 EP disclosed
US-7005434-B2 Compounds and uses thereof SB CORPORATION (US) 2006-02-28 US disclosed
US-20040048888-A1 Novel compounds and uses thereof SMITHKLINE BEECHAM CORPORATION 2004-03-11 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-20040048888-A1 Novel compounds and uses thereof TEK, TIE1, KDR CYP11B1 1509/4885CYP11B2 922/4885RAB9A 2298/4885

“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.