SCHEMBL239704

SCHEMBL239704

COc1cccc(C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.65
MAPK11 Q15759 10/20 0.65
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
LMNA P02545 1/20 0.56
BRPF1 P55201 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
NPC1 O15118 1/20 0.55
GRM5 P41594 1/20 0.55

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
SCHEMBL239218 0.88 MAPK14 (0.53) MAPK14MAPK11ALDH1A1LMNA
SCHEMBL2468483 0.86 NPC1 (0.71) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL240219 0.85 MAPK11 (0.65) MAPK14MAPK11MEN1KMT2ANPC1
SCHEMBL241982 0.85 HDAC1 (0.68) MAPK14MAPK11
SCHEMBL240047 0.84 MAPK11 (0.64) MAPK14MAPK11
SCHEMBL242057 0.84 HDAC1 (0.58) MAPK14MAPK11MEN1KMT2AALDH1A1
SCHEMBL1752642 0.83 MAPK11 (0.84) MAPK14MAPK11
SCHEMBL1140156 0.82 MAPK14 (0.61) MAPK14MAPK11MEN1KMT2A
SCHEMBL240700 0.82 MAPK14 (0.62) MAPK14MAPK11
SCHEMBL239375 0.81 MAPK14 (0.60) MAPK14MAPK11MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004243-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2012-01-05 US claimed
EP-1699766-B1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2010-08-11 EP claimed
US-20120004243-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2012-01-05 US disclosed
EP-1699766-B1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2010-08-11 EP disclosed
US-20070135440-A1 Amide derivatives bearing a cyclopropylaminoacarbonyl substituent useful as cytokine inhibitors ASTRAZENECA AB (SE) 2007-06-14 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 (2 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-20070135440-A1 Amide derivatives bearing a cyclopropylaminoacarbonyl substituent useful as cytokine inhibitors IL2, IL6, IL1B MAPK14 1549/4885MAPK11 2179/4885MEN1 4202/4885
US-20120004243-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS IL2, IL6, IL1B MAPK14 1594/4885MAPK11 2262/4885MEN1 4214/4885

“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.