SCHEMBL1600464

SCHEMBL1600464

Cc1ccc(-n2c(=O)n(C3CC4CCC3C4)c3ccc(Nc4ccccc4)nc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 7/20 0.46
CCND1 P24385 4/20 0.46
CCND2 P30279 4/20 0.46
CCND3 P30281 4/20 0.46
GSK3B P49841 3/20 0.37
AXL P30530 2/20 0.35
KDR P35968 1/20 0.35
PIK3CA P42336 2/20 0.35
PRKDC P78527 2/20 0.35
AKT1 P31749 1/20 0.35
CDK6 Q00534 2/20 0.34
CCNE2 O96020 1/20 0.34
FGFR1 P11362 1/20 0.34
CCNA2 P20248 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34

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
SCHEMBL1600140 0.95 CDK4 (0.43) CDK4CCND1CCND2CCND3AXL
SCHEMBL1600068 0.93 CDK4 (0.50) CDK4CCND1CCND2CCND3GSK3B
SCHEMBL1600509 0.81 HCAR1 (0.40) CDK4CCND1CCND2CCND3GSK3B
SCHEMBL13117797 0.81 HCAR1 (0.40) CDK4CCND1CCND2CCND3GSK3B
SCHEMBL13232711 0.80 AKT1 (0.36) GSK3BPIK3CAPRKDCAKT1MTOR
SCHEMBL1599517 0.80 CDK4 (0.56) CDK4CCND1CCND2CCND3GSK3B
SCHEMBL1600529 0.78 CDK4 (0.66) CDK4CCND1CCND2CCND3GSK3B
SCHEMBL13232714 0.75 PIK3CA (0.38) PIK3CAPRKDCAKT1MTOR
SCHEMBL1600800 0.67 GSK3B (0.67) CDK4CCND1CCND2CCND3GSK3B
SCHEMBL1600592 0.67 PDE10A (0.43) CDK4CCND1CCND2CCND3AXL

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 US 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-7919617-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-04-05 US 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-7897599-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-03-01 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-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-20100093734-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 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-20100093735-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
WO-2007058990-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-24 WO disclosed
WO-2006091862-A2 CYTOKINE INHIBITORS AND THEIR USE IN THERAPY KEMIA, INC. (US) 2006-08-31 WO 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 CDK4 2071/4885CCND1 3713/4885CCND2 3374/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A CDK4 2071/4885CCND1 3713/4885CCND2 3374/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B CDK4 1419/4885CCND1 2600/4885CCND2 2336/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A CDK4 2071/4885CCND1 3713/4885CCND2 3374/4885

“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.