SCHEMBL2427155

SCHEMBL2427155

NC(=O)c1ccc(C(=O)O)cc1Nc1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SIRT2 Q8IXJ6 5/20 0.45
AKR1C3 P42330 2/20 0.45
AKR1C2 P52895 2/20 0.45
IKBKE Q14164 1/20 0.44
TBK1 Q9UHD2 1/20 0.44
ROCK2 O75116 2/20 0.44
CDC7 O00311 1/20 0.44
MAP4K4 O95819 1/20 0.44
GSK3B P49841 1/20 0.44

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
SCHEMBL13450267 0.91 JAK2 (0.46) JAK2L3MBTL1MAPTKDM4ESIRT2
SCHEMBL2425054 0.86 MAPT (0.62) MAPTKDM4EGAAALDH1A1THRB
SCHEMBL22093313 0.81 GRIK1 (0.55) JAK2MEN1KMT2AMAPTKDM4E
SCHEMBL9409053 0.79 JAK2 (0.51) JAK2MAPTSIRT2ROCK2CDC7
SCHEMBL2426173 0.78 SIRT2 (0.60) MAPTKDM4EGAAALDH1A1THRB
SCHEMBL460199 0.76 SIRT2 (0.62) JAK2SIRT2MAPK10MAPK9MAPK8
SCHEMBL26436207 0.76 KDM4E (0.52) MEN1KMT2AL3MBTL1MAPTKDM4E
SCHEMBL9409154 0.74 AKR1C3 (0.55) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL2476797 0.74 MAPT (0.63) MAPTKDM4EGAAALDH1A1THRB
SCHEMBL2423506 0.74 MAPK9 (0.55) JAK2MAPTGAASIRT2AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101910168-B Tropane compounds EXELIXIS INC 2014-07-30 CN disclosed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
CN-101910168-A Tropane compounds EXELIXIS INC 2010-12-08 CN disclosed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 EP disclosed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 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 (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-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 JAK2 3332/4885MEN1 989/4885KMT2A 3076/4885

“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.