Sugi Predict

Sugi Predict / Compounds / SCHEMBL8737415

SCHEMBL8737415

SCHEMBL8737415

Cc1ncc(C)c2[nH]ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 1/20 0.47
▸ PRKCI P41743 1/20 0.47
▸ PIK3C3 Q8NEB9 2/20 0.37
▸ CFB P00751 6/20 0.36
▸ CCR8 P51685 2/20 0.34
▸ CCR1 P32246 1/20 0.34
▸ CCR5 P51681 1/20 0.34
▸ CCNK O75909 1/20 0.33
▸ CDK12 Q9NYV4 1/20 0.33
▸ GRM5 P41594 3/20 0.33
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ JAK2 O60674 2/20 0.31
▸ JAK3 P52333 2/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ DAPK3 O43293 1/20 0.31
▸ PRKD3 O94806 1/20 0.31

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
SCHEMBL2628879 0.83 PRKCI (0.47) AXLPRKCIPIK3C3CFBCCR8
SCHEMBL25898918 0.80 AXL (0.44) AXLPRKCICFBCCR8CCR1
SCHEMBL18479114 0.80 AXL (0.53) AXLPRKCICFBCCR8CCR1
SCHEMBL26534104 0.80 AXL (0.37) AXLPRKCIPIK3C3JAK2JAK3
SCHEMBL26145364 0.80 AXL (0.44) AXLPRKCIPIK3C3CCR8CCNK
SCHEMBL8737468 0.79 AXL (0.36) AXLPRKCIPIK3C3
SCHEMBL6127940 0.77 AXL (0.42) AXLPRKCICFBCCR8CCR1
SCHEMBL2628910 0.77 AXL (0.42) AXLPRKCICFBCCNKCDK12
SCHEMBL31409664 0.76 DRD1 (0.35) AXLPRKCIPIK3C3CFBJAK2
SCHEMBL16382682 0.73 BTK (0.48) PIK3C3JAK2JAK3JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828373-B2 2-amino-pyrido[2,3-D]pyrimidin-7(8H)-one derivatives as CDK inhibitors and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-11-28 — — US disclosed
US-20170121323-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE DERIVATIVES AS CDK INHIBITORS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-05-04 — — US disclosed
US-8809318-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2014-08-19 — — US disclosed
US-8759337-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2014-06-24 — — US disclosed
US-8487099-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2013-07-16 — — US disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 — — US disclosed
US-8426595-B2 Gamma secretase modulators MERCK SHARP & DOHME LLC 2013-04-23 — — US disclosed
US-20120238546-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-20 — — US disclosed
US-20120135980-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-05-31 — — US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 — — US disclosed
US-20110306593-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-15 — — US disclosed
US-20110294784-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-01 — — US disclosed
US-20110263529-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2011-10-27 — — US disclosed
US-20100297128-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2010-11-25 — — US disclosed
US-20100298372-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 — — US disclosed
US-20100298359-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2010-11-25 — — 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 (10 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-20100298359-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 AXL 4651/4885PRKCI 661/4885PIK3C3 4281/4885
US-20110294784-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP AXL 4497/4885PRKCI 414/4885PIK3C3 3623/4885
US-20100297128-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 AXL 4166/4885PRKCI 409/4885PIK3C3 3380/4885
US-20120135980-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP AXL 4497/4885PRKCI 414/4885PIK3C3 3623/4885
US-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 AXL 4135/4885PRKCI 325/4885PIK3C3 1689/4885
US-20100298372-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 AXL 4708/4885PRKCI 533/4885PIK3C3 4293/4885
US-20110306593-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 AXL 3651/4885PRKCI 520/4885PIK3C3 813/4885
US-20170121323-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE DERIVATIVES AS CDK INHIBITORS AND USES THEREOF CDK6, CDK4, CDK7 AXL 989/4885PRKCI 949/4885PIK3C3 2749/4885
US-20110263529-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 AXL 4072/4885PRKCI 243/4885PIK3C3 1425/4885
US-20120238546-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 AXL 4708/4885PRKCI 556/4885PIK3C3 4319/4885

“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.