Sugi Predict

Sugi Predict / Compounds / SCHEMBL2661889

SCHEMBL2661889

SCHEMBL2661889

CC(C)c1ccc2[nH]nc(N)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 15/20 0.55
▸ PDPK1 O15530 4/20 0.55
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ TYK2 P29597 4/20 0.47
▸ JAK3 P52333 4/20 0.47
▸ ROCK1 Q13464 4/20 0.47
▸ CLK4 Q9HAZ1 4/20 0.47
▸ AURKB Q96GD4 4/20 0.47
▸ PRKD3 O94806 3/20 0.47
▸ PLK4 O00444 3/20 0.47
▸ DAPK3 O43293 3/20 0.47
▸ DYRK3 O43781 3/20 0.47
▸ ROCK2 O75116 3/20 0.47
▸ MAP4K4 O95819 3/20 0.47
▸ CDK1 P06493 3/20 0.47
▸ CDK2 P24941 3/20 0.47
▸ MARK3 P27448 3/20 0.47
▸ CLK2 P49760 3/20 0.47

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
SCHEMBL84573 0.85 PDPK1 (0.55) JAK2PDPK1KDM4ECYP3A4GAA
SCHEMBL84556 0.81 ADORA2A (0.43) JAK2KDM4EGAACLK4AURKB
SCHEMBL12120600 0.81 HTR1D (0.41) JAK2PDPK1KDM4EGAACLK4
SCHEMBL22888210 0.80 GSK3B (0.48) JAK2KDM4EGAATYK2JAK3
SCHEMBL21095943 0.80 HTR1D (0.40) JAK2PDPK1KDM4EGAADYRK1A
SCHEMBL28206181 0.80 HTR1D (0.43) JAK2PDPK1KDM4EGAACLK4
SCHEMBL14827507 0.80 HTR1D (0.40) JAK2KDM4EGAAGSK3BHTR1D
SCHEMBL14737373 0.80 HTR1D (0.40) JAK2PDPK1KDM4EGAACLK4
SCHEMBL3509883 0.79 JAK2 (0.45) JAK2PDPK1KDM4ECYP3A4GAA
SCHEMBL6598584 0.78 PRKAG1 (0.55) KDM4EGAADYRK1AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 — — US disclosed
US-20220169676-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES WASHINGTON UNIVERSITY (US) 2022-06-02 — — US disclosed
US-11130780-B2 Inhibitors of growth factor activation enzymes WASHINGTON UNIVERSITY (US) 2021-09-28 — — US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 — — US disclosed
US-9975863-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-22 — — US disclosed
US-9975863-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-22 — — US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 — — US disclosed
US-20180066015-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES WASHINGTON UNIVERSITY (US) 2018-03-08 — — US disclosed
US-20180066015-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES WASHINGTON UNIVERSITY (US) 2018-03-08 — — US disclosed
US-20180009770-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE 2018-01-11 — — US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 — — US disclosed
EP-1966152-A2 GLUCOKINASE ACTIVATORS Takeda Pharmaceutical Company Limited (JP) 2008-09-10 — — EP disclosed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 — — US disclosed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 — — US disclosed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 — — US disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 — — US disclosed
WO-2007075847-A2 GLUCOKINASE ACTIVATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 — — WO disclosed
WO-2007075847-A2 GLUCOKINASE ACTIVATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 — — WO disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 — — US disclosed
US-4051252-A ANALGESIC, ANTIINFLAMMATORY, ANTIPYRETIC BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 — — 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 (9 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-20180009770-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 JAK2 3570/4885PDPK1 412/4885KDM4E 3088/4885
US-20070244169-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 JAK2 2370/4885PDPK1 148/4885KDM4E 2963/4885
US-11130780-B2 Inhibitors of growth factor activation enzymes HDGF, MMP7, HGF JAK2 729/4885PDPK1 3145/4885KDM4E 3916/4885
US-20220169676-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES HDGF, MMP7, HGF JAK2 729/4885PDPK1 3145/4885KDM4E 3916/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN JAK2 1487/4885PDPK1 3105/4885KDM4E 1590/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS JAK2 658/4885PDPK1 253/4885KDM4E 3041/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 JAK2 4746/4885PDPK1 183/4885KDM4E 3256/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN JAK2 1487/4885PDPK1 3105/4885KDM4E 1590/4885
US-20180066015-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES HDGF, MMP7, HGF JAK2 729/4885PDPK1 3145/4885KDM4E 3916/4885

“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.