SCHEMBL5836620

SCHEMBL5836620

CCCCCc1cn[c]nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTGS2 P35354 4/20 0.43
CYP3A4 P08684 2/20 0.43
ESR1 P03372 2/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
SHBG P04278 1/20 0.42
TP53 P04637 1/20 0.42
HSPD1 P10809 1/20 0.42
ADRB3 P13945 1/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL5749230 0.98 TDP1 (0.46) TDP1L3MBTL1PTGS2CYP3A4ESR1
SCHEMBL21052798 0.98 TDP1 (0.46) TDP1L3MBTL1PTGS2CYP3A4ESR1
SCHEMBL5748773 0.98 TDP1 (0.46) TDP1L3MBTL1PTGS2CYP3A4ESR1
SCHEMBL5745373 0.98 TDP1 (0.46) TDP1L3MBTL1PTGS2CYP3A4ESR1
SCHEMBL4328588 0.93 L3MBTL1 (0.39) TDP1L3MBTL1PTGS2CYP3A4ESR1
SCHEMBL1758510 0.83
SCHEMBL7723534 0.81 RARB (0.51) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL534479 0.75 L3MBTL1 (0.50) TDP1L3MBTL1PTGS2CYP3A4ESR1
SCHEMBL4177303 0.74 TDP1 (0.59) TDP1L3MBTL1PTGS2CYP3A4ESR1
SCHEMBL1335859 0.74 TDP1 (0.49) TDP1L3MBTL1PTGS2CYP3A4ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7049317-B2 CCR-3 receptor antagonists SYNTEX (U.S.A.) LLC (US) 2006-05-23 US claimed
EP-1427696-A1 CCR-3 RECEPTOR ANTAGONISTS V F. HOFFMANN-LA ROCHE AG (CH) 2004-06-16 EP claimed
US-20030119885-A1 CCR-3 receptor antagonists SYNTEX (U.S.A.) LLC 2003-06-26 US claimed
WO-2003022799-A1 CCR-3 RECEPTOR ANTAGONISTS V F. HOFFMANN-LA ROCHE AG (CH) 2003-03-20 WO claimed
EP-1427696-A1 CCR-3 RECEPTOR ANTAGONISTS V F. HOFFMANN-LA ROCHE AG (CH) 2004-06-16 EP disclosed
WO-2003022799-A1 CCR-3 RECEPTOR ANTAGONISTS V F. HOFFMANN-LA ROCHE AG (CH) 2003-03-20 WO disclosed
EP-0820997-B1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2001-07-25 EP disclosed
US-5985882-A ANALGESICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-11-16 US disclosed
EP-0820997-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-01-28 EP 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-20030119885-A1 CCR-3 receptor antagonists CCR1, CCR3, CCR4 TDP1 4319/4885L3MBTL1 2590/4885PTGS2 2836/4885

“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.