SCHEMBL1629449

SCHEMBL1629449

CCC(O)c1ccc(Nc2ncc(C(C)=O)cc2N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 1/20 0.37
TTBK2 Q6IQ55 1/20 0.37
CREBBP Q92793 1/20 0.36
GRM5 P41594 2/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
PRKCI P41743 1/20 0.33
TP53 P04637 1/20 0.33
RAD52 P43351 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
AGPAT2 O15120 1/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
NR3C2 P08235 1/20 0.33

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
SCHEMBL1629448 0.81 RAD52 (0.42) TTBK1TTBK2CREBBPRAB9ANPC1
SCHEMBL1626152 0.81 RAD52 (0.42) TTBK1TTBK2CREBBPRAB9ANPC1
SCHEMBL27597644 0.72 BRAF (0.36) GRM5RAB9ARAD52KMT2AMEN1
SCHEMBL15213058 0.71 P4HTM (0.52) TTBK1TTBK2RAB9ANPC1TP53
SCHEMBL9827387 0.69 LMNA (0.54) RAB9APOLBMAPTMAPK1KMT2A
SCHEMBL13202023 0.69 MAPK1 (0.52) GRM5RAB9ANPC1TP53POLB
SCHEMBL7152903 0.68 PARP14 (0.36) RAB9ANPC1POLBMAPTMAPK1
SCHEMBL23675260 0.68 MAPT (0.51) GRM5RAB9ANPC1POLBMAPT
SCHEMBL30032592 0.68 GAA (0.55) GRM5RAB9ANPC1MAPTMAPK1
SCHEMBL23675274 0.68 GAA (0.55) GRM5RAB9ANPC1MAPTMAPK1

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-7928119-B2 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PFIZER INC. (US) 2011-04-19 US disclosed
US-20070066618-A1 Use of EP4 Receptor Ligands in the Treatment of IL-6 Involved Diseases PFIZER INC. 2007-03-22 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-20070066618-A1 Use of EP4 Receptor Ligands in the Treatment of IL-6 Involved Diseases PTGER4, PTGER1, IL6 TTBK1 3789/4885TTBK2 3994/4885CREBBP 1495/4885

“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.