SCHEMBL6665014

SCHEMBL6665014

CCCCCc1cnccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TLR8 Q9NR97 5/20 0.41
AOC1 P19801 2/20 0.41
AOC3 Q16853 2/20 0.41
PPARA Q07869 1/20 0.40
TKT P29401 1/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2E1 P05181 1/20 0.37
CYP2C8 P10632 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
SCHEMBL27644996 0.94 AOC1 (0.42) TDP1L3MBTL1TLR8AOC1AOC3
SCHEMBL18716208 0.86 CYP2E1 (0.47) TDP1L3MBTL1AOC1AOC3TKT
SCHEMBL294034 0.85 AOC1 (0.55) TDP1L3MBTL1TLR8AOC1AOC3
SCHEMBL5750088 0.84 AOC1 (0.53) TDP1L3MBTL1TLR8AOC1AOC3
SCHEMBL5749554 0.84 AOC1 (0.53) TDP1L3MBTL1TLR8AOC1AOC3
SCHEMBL5744881 0.84 AOC1 (0.53) TDP1L3MBTL1TLR8AOC1AOC3
SCHEMBL5400615 0.82 TDP1 (0.53) TDP1L3MBTL1TLR8PPARAMEN1
Ammonia Solution, Strong SCHEMBL28661009 0.82 AOC1 (0.52) TDP1L3MBTL1TLR8AOC1AOC3
SCHEMBL23768500 0.81 TDP1 (0.52) TDP1L3MBTL1PPARAMEN1MAPT
SCHEMBL27425453 0.81 TDP1 (0.52) TDP1L3MBTL1PPARAMEN1MAPT

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
EP-1025102-B1 BICYCLIC KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2004-05-19 EP disclosed
US-6630485-B2 For therapy of inflammatory disease SYNTEX (U.S.A.) LLC 2003-10-07 US disclosed
US-20030139462-A1 p38 MAP kinase inhibitors CHENG SOAN (US) 2003-07-24 US disclosed
US-6479507-B2 MODULATION OF THESE INFLAMMATORY CYTOKINES IS CONSIDERED ONE OF THE MOST EFFECTIVE STRATEGIES TO BLOCK CHRONIC INFLAMMATION AND HAVE POSITIVE THERAPEUTIC OUTCOMES SYNTEX (U.S.A.) LLC 2002-11-12 US disclosed
US-20020013354-A1 p38 map kinase inhibitors CHENG SOAN (US) 2002-01-31 US disclosed
US-20010044538-A1 p38 MAP kinase inhibitors CHENG SOAN (US) 2001-11-22 US disclosed
US-6316464-B1 P38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 US disclosed
EP-1025102-A1 BICYCLIC KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-08-09 EP disclosed
WO-1999020624-A1 BICYCLIC KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 1999-04-29 WO 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 (3 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-20020013354-A1 p38 map kinase inhibitors MAPK1, MAPK8, MAP3K1 TDP1 997/4885L3MBTL1 4207/4885TLR8 1630/4885
US-20030139462-A1 p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K1 TDP1 997/4885L3MBTL1 4207/4885TLR8 1630/4885
US-20010044538-A1 p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K1 TDP1 997/4885L3MBTL1 4207/4885TLR8 1630/4885

“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.