SCHEMBL1600384

SCHEMBL1600384

O=c1n(Cc2ccccc2)c2ccc(Nc3ccccc3)nc2n1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.49
MAPK9 P45984 2/20 0.49
PGR P06401 1/20 0.49
PDE4A P27815 3/20 0.46
PDE4B Q07343 3/20 0.46
PDE4C Q08493 3/20 0.46
PDE4D Q08499 3/20 0.46
KMT2A Q03164 2/20 0.46
GSK3B P49841 3/20 0.46
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
CCND2 P30279 1/20 0.43
CCND3 P30281 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
POLB P06746 2/20 0.40
MET P08581 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KDM4A O75164 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL1600331 0.81 GSK3B (0.67) MAPK8MAPK9PGRPDE4APDE4B
SCHEMBL1600800 0.77 GSK3B (0.67) KMT2AGSK3BCDK4CCND1CCND2
SCHEMBL14609935 0.70 GRIN1 (0.49) KDM4EALDH1A1
SCHEMBL1600068 0.69 CDK4 (0.50) GSK3BCDK4CCND1CCND2CCND3
SCHEMBL4520036 0.68 ADORA2A (0.72) KMT2AADORA2AADORA1ALDH1A1TSHR
SCHEMBL5803009 0.68 GSK3B (0.72) KMT2AGSK3BCDK4CCND1CCND2
SCHEMBL6658524 0.66 MAPK8 (0.59) MAPK8MAPK9PGRPDE4APDE4B
SCHEMBL14609939 0.65 CDK4 (0.49) CDK4CCND1CCND2CCND3ADORA1
SCHEMBL7059471 0.64 MEN1 (0.41) MAPK8MAPK9KMT2AGSK3BCDK4
SCHEMBL14950255 0.64 MAPK8 (0.56) MAPK8MAPK9PGRPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670787-A4 CYTOKINE INHIBITORS KEMIA INC (US) 2009-04-22 EP claimed
EP-1670787-A2 CYTOKINE INHIBITORS Kemia, INC. (US) 2006-06-21 EP claimed
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 US claimed
WO-2005023761-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2005-03-17 WO claimed
EP-1670787-B1 CYTOKINE INHIBITORS ITHERX PHARMA INC (US) 2012-05-30 EP disclosed
US-7919617-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-04-05 US disclosed
US-7897599-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-03-01 US disclosed
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF ITHERX PHARMACEUTICALS, INC. 2010-10-28 US disclosed
US-7749999-B2 Alpha-ketoamides and derivatives thereof ITHERX PHARMACEUTICALS, INC. (US) 2010-07-06 US disclosed
US-20100093734-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20100093735-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 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 (4 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-20050107399-A1 Cytokine inhibitors TNF, IL1RN, IL1A MAPK8 912/4885MAPK9 623/4885PGR 4726/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A MAPK8 912/4885MAPK9 623/4885PGR 4726/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B MAPK8 1348/4885MAPK9 2576/4885PGR 4714/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A MAPK8 912/4885MAPK9 623/4885PGR 4726/4885

“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.