SCHEMBL6188699

SCHEMBL6188699

CCc1nc2cncnc2nc1CC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ CYP2C19 P33261 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ EGFR P00533 7/20 0.32
▸ USP2 O75604 2/20 0.30
▸ CYP2D6 P10635 2/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL12134965 0.83 PIK3CG (0.33) PIK3CG
SCHEMBL12134728 0.83 PIK3CG (0.33) PIK3CG
SCHEMBL3292267 0.78 PIK3CG (0.47) PIK3CGALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL14024443 0.76 PIK3CG (0.35) PIK3CGEGFR
SCHEMBL1378685 0.75 PIK3CG (0.46) PIK3CGALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL10077305 0.74 PIK3CG (0.34) PIK3CGEGFR
SCHEMBL30290978 0.72 PIK3CG (0.41) PIK3CGALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2490862 0.72 PIK3CG (0.41) PIK3CGALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL12134735 0.72 PSMB5 (0.38) CYP11B1CYP11B2EGFR
SCHEMBL30792945 0.71 CYP1A2 (0.33) PIK3CGALDH1A1CYP1A2CYP3A4CYP2C9

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-7705014-B2 Inhibitors of AKT activity MERCK SHARP & DOHME CORP. (US) 2010-04-27 — — US disclosed
US-20090062327-A1 Inhibitors of AKT Activity MERCK SHARP & DOHME CORP. 2009-03-05 — — US disclosed
US-7396832-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2008-07-08 — — US disclosed
US-20070149536-A1 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. 2007-06-28 — — US disclosed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 — — US disclosed
EP-1193257-B1 Compounds for ceramide-mediated signal transduction UNIV CALIFORNIA (US) 2005-09-07 — — EP disclosed
EP-0986561-B1 COMPOUNDS FOR INHIBITION OF CERAMIDE-MEDIATED SIGNAL TRANSDUCTION UNIV CALIFORNIA (US) 2005-07-27 — — EP disclosed
US-6562819-B2 Antiinflammatory agents; antiproliferative agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-05-13 — — US disclosed
US-20020165202-A1 Compounds for inhibition of ceramide-mediated signal transduction THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-11-07 — — US disclosed
EP-0801568-B1 COMPOUNDS FOR INHIBITION OF CERAMIDE-MEDIATED SIGNAL TRANSDUCTION UNIV CALIFORNIA (US) 2002-07-17 — — EP disclosed
US-6323201-B1 ANTIINFLAMMATORY AGENTS, ANTIPROLIFERATION AGENTS AND ENZYME INHIBITORS OF PHOSPHODIESTERASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-11-27 — — US disclosed
EP-0986561-A4 COMPOUNDS FOR INHIBITION OF CERAMIDE-MEDIATED SIGNAL TRANSDUCTION UNIV CALIFORNIA (US) 2001-06-13 — — EP disclosed
EP-1091960-A1 BIFUNCTIONAL ANTAGONISTS OF CYTOKINE-SENSITIVE PROTEIN KINASE ACTIVATION CASCADES AND METHODS FOR USE AS ANTI-INFLAMMATORY AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-04-18 — — EP disclosed
EP-0986561-A1 COMPOUNDS FOR INHIBITION OF CERAMIDE-MEDIATED SIGNAL TRANSDUCTION The Regents of the University of California (US) 2000-03-22 — — EP disclosed
WO-2000000491-A1 BIFUNCTIONAL ANTAGONISTS OF CYTOKINE-SENSITIVE PROTEIN KINASE ACTIVATION CASCADES AND METHODS FOR USE AS ANTI-INFLAMMATORY AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-01-06 — — WO disclosed
US-5843943-A Compounds for inhibition of ceramide-mediated signal transduction THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-12-01 — — US disclosed
WO-1998052948-A1 COMPOUNDS FOR INHIBITION OF CERAMIDE-MEDIATED SIGNAL TRANSDUCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-11-26 — — WO disclosed
EP-0801568-A4 COMPOUNDS FOR INHIBITION OF CERAMIDE-MEDIATED SIGNAL TRANSDUCTION UNIV CALIFORNIA (US) 1998-02-25 — — EP disclosed
EP-0801568-A1 COMPOUNDS FOR INHIBITION OF CERAMIDE-MEDIATED SIGNAL TRANSDUCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-10-22 — — EP disclosed
WO-1996020710-A1 COMPOUNDS FOR INHIBITION OF CERAMIDE-MEDIATED SIGNAL TRANSDUCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-07-11 — — 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 (3 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-20070149536-A1 Inhibitors of Akt activity AKT1, AKT2, AKT3 PIK3CG 12/4885ALDH1A1 3399/4885CYP1A2 4484/4885
US-20020165202-A1 Compounds for inhibition of ceramide-mediated signal transduction SMPD1, CERT1, SMPD3 PIK3CG 351/4885ALDH1A1 3282/4885CYP1A2 3261/4885
US-20090062327-A1 Inhibitors of AKT Activity PIK3CD, PIK3CA, PIK3CG PIK3CG 3/4885ALDH1A1 3853/4885CYP1A2 4557/4885

“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.

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