Sugi Predict

Sugi Predict / Compounds / SCHEMBL8737264

SCHEMBL8737264

SCHEMBL8737264

COc1cc(C(C)C)cnc1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.35
▸ CRHR1 P34998 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ P2RX3 P56373 3/20 0.34
▸ P2RX2 Q9UBL9 3/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PDE10A Q9Y233 2/20 0.33
▸ DHFR P00374 2/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6124792 0.80 HDAC4 (0.42) HDAC4HDAC8ALDH1A1CRHR1P2RX3
SCHEMBL799306 0.80 PIK3CA (0.38) HDAC4HDAC8ALDH1A1P2RX3P2RX2
SCHEMBL10080963 0.78 P2RX3 (0.43) P2RX3P2RX2DHFR
SCHEMBL10141676 0.78 ALDH1A1 (0.38) HDAC4HDAC8ALDH1A1CRHR1POLB
SCHEMBL10085321 0.78 CHRNB2 (0.40) HDAC4HDAC8ALDH1A1P2RX3P2RX2
SCHEMBL13097709 0.78 HRH4 (0.33) ALDH1A1PDE10AEGFR
SCHEMBL10141677 0.77 ACHE (0.34) SMN1; SMN2
SCHEMBL19343283 0.76 DPP4 (0.42) HDAC4HDAC8CRHR1POLBP2RX3
SCHEMBL10080958 0.76 DHFR (0.36) HDAC4HDAC8CRHR1P2RX3P2RX2
SCHEMBL10141662 0.76 TRPM8 (0.39) HDAC4HDAC8ALDH1A1GAAP2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220134-A1 PYRAZINE DERIVATIVES AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2023-11-16 — — WO disclosed
WO-2023220129-A1 BENZOYPARAZINE PYRAZINES ANE THEIR USES FOGHORN THERAPEUTICS INC. (US) 2023-11-16 — — WO disclosed
WO-2023220137-A1 PYRAZINE DERIVATIVES AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2023-11-16 — — WO disclosed
US-10183933-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-01-22 — — US disclosed
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2017-09-14 — — US disclosed
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2017-09-14 — — US disclosed
US-9676759-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-06-13 — — US disclosed
US-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2014-02-06 — — US disclosed
US-8466288-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-18 — — US disclosed
US-8268999-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 — — US disclosed
US-8268999-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 — — US disclosed
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-09 — — 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-20120107328-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2012-05-03 — — US disclosed
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-01 — — US disclosed
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 — — US disclosed
US-20100297128-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 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-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 HDAC4 1075/4885HDAC8 444/4885ALDH1A1 3381/4885
US-20120107328-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 HDAC4 968/4885HDAC8 914/4885ALDH1A1 1705/4885
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 HDAC4 1075/4885HDAC8 444/4885ALDH1A1 3381/4885
US-20100297128-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 HDAC4 1324/4885HDAC8 1468/4885ALDH1A1 1882/4885
US-20120135980-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP HDAC4 1254/4885HDAC8 1396/4885ALDH1A1 2161/4885
US-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 HDAC4 1387/4885HDAC8 1034/4885ALDH1A1 3689/4885
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS PIK3CA, PIK3CD, PIK3CG HDAC4 964/4885HDAC8 829/4885ALDH1A1 3409/4885
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 HDAC4 1075/4885HDAC8 444/4885ALDH1A1 3381/4885
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 HDAC4 1075/4885HDAC8 444/4885ALDH1A1 3381/4885
US-10183933-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase PIK3CD, PIK3CA, PIK3R5 HDAC4 1075/4885HDAC8 444/4885ALDH1A1 3381/4885

“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.