SCHEMBL1504763

SCHEMBL1504763

O=C(Nc1cccnc1)c1ccc(Br)c(NC(=O)c2ccc(=O)n(-c3c(F)cccc3F)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.52
CYP11B2 P19099 4/20 0.52
LMNA P02545 2/20 0.47
F10 P00742 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
MAPK7 Q13164 2/20 0.46
YTHDC1 Q96MU7 1/20 0.46
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 2/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
MAPK14 Q16539 1/20 0.43
NAMPT P43490 1/20 0.43
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL1504728 0.89 SMN1; SMN2 (0.56) CYP11B1CYP11B2LMNAF10MAPT
SCHEMBL1504566 0.88 HDAC1 (0.49) LMNAKDM4EMAPTALDH1A1NPC1
SCHEMBL1504699 0.83 HDAC1 (0.46) F10KDM4EMAPTALDH1A1NPC1
SCHEMBL1504668 0.81 HDAC1 (0.42) LMNAF10KDM4EMAPTALDH1A1
SCHEMBL1504703 0.81 MAPK14 (0.47) KDM4EMAPTALDH1A1MAPK14TP53
SCHEMBL1504789 0.80 MAPK14 (0.47) MAPK14CYP1A2KMT2A
SCHEMBL1504540 0.80 NPC1 (0.52) CYP11B1CYP11B2LMNAF10KDM4E
SCHEMBL1504764 0.80 HDAC1 (0.39) F10KDM4EMAPTALDH1A1NPC1
SCHEMBL1504662 0.80 MAPK14 (0.47) KDM4EALDH1A1SMN1; SMN2MAPK14CYP2C9
SCHEMBL1504645 0.79 NPC1 (0.47) MAPK7NPC1SMN1; SMN2MAPK14KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173684-B2 Pyridone derivatives as p38α MAPK inhibitors ASTELLAS PHARMA INC. (JP) 2012-05-08 US disclosed
US-8173684-B2 Pyridone derivatives as p38α MAPK inhibitors ASTELLAS PHARMA INC. (JP) 2012-05-08 US disclosed
US-8173684-B2 Pyridone derivatives as p38α MAPK inhibitors ASTELLAS PHARMA INC. (JP) 2012-05-08 US disclosed
EP-2155683-B1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC (JP) 2011-03-16 EP disclosed
US-20100063098-A1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC. (JP) 2010-03-11 US disclosed
US-20100063098-A1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC. (JP) 2010-03-11 US disclosed
US-20100063098-A1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC. (JP) 2010-03-11 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-20100063098-A1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS MAPK1, MAPK6, MAPK3 CYP11B1 188/4885CYP11B2 288/4885LMNA 2734/4885

“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.