Sugi Predict

Sugi Predict / Compounds / SCHEMBL3089533

SCHEMBL3089533

SCHEMBL3089533

Brc1cccc(-c2cn[nH]c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.59
▸ AKT2 P31751 1/20 0.59
▸ IDO1 P14902 1/20 0.56
▸ METAP2 P50579 1/20 0.56
▸ GABRG2 P18507 6/20 0.49
▸ GABRB3 P28472 6/20 0.49
▸ GABRA5 P31644 6/20 0.49
▸ GABRA3 P34903 6/20 0.49
▸ GABRA1 P14867 5/20 0.49
▸ BIRC5 O15392 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ RPS6KA3 P51812 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HK1 P19367 1/20 0.42
▸ HKDC1 Q2TB90 1/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL30424015 0.86 AKT2 (0.71) AKT1AKT2RPS6KA3PIM1PIM3
Tert-Butyl Formate SCHEMBL27812766 0.84 AKT1 (0.42) AKT1AKT2IDO1METAP2GABRG2
SCHEMBL980068 0.77 CHEK1 (0.59) AKT1AKT2METAP2MEN1KMT2A
SCHEMBL20597906 0.77 AKT2 (0.59) AKT1AKT2RPS6KA3PIM1PIM3
SCHEMBL29366181 0.77 NT5E (0.59) AKT1AKT2METAP2RPS6KA3CHEK1
SCHEMBL23804742 0.77 AKT2 (0.59) AKT1AKT2IDO1CHEK1
SCHEMBL17980346 0.77 NT5E (0.59) AKT1AKT2METAP2RPS6KA3CHEK1
SCHEMBL22861241 0.77 AKT2 (0.59) AKT1AKT2IDO1RPS6KA3PIM1
SCHEMBL4582269 0.77 AKT2 (0.59) AKT1AKT2RPS6KA3PIM1PIM3
SCHEMBL4582273 0.77 AKT1 (0.59) AKT1AKT2IDO1METAP2RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 — — US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 — — US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 — — US disclosed
CN-117120419-A KLK5 bicyclic heteroaromatic inhibitors 拜奥克里斯特制药公司 2023-11-24 — — CN disclosed
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 — — US disclosed
CN-111868037-B Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2023-10-13 — — CN disclosed
US-RE49517-E1 Pyrazoles Janssen Pharmaceuticals, Inc. (US) 2023-05-02 — — US disclosed
US-RE49517-E1 Pyrazoles Janssen Pharmaceuticals, Inc. (US) 2023-05-02 — — US disclosed
US-RE49517-E1 Pyrazoles Janssen Pharmaceuticals, Inc. (US) 2023-05-02 — — US disclosed
WO-2022216946-A1 MCL1 INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-10-13 — — WO disclosed
CN-101801963-A Trisubstituted pyrimidine derivatives for the treatment of proliferative diseases ASTRAZENECA AB 2010-08-11 — — CN disclosed
EP-2176256-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2010-04-21 — — EP disclosed
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators SGX PHARMACEUTICALS, INC. 2010-02-11 — — US disclosed
EP-2134179-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-12-23 — — EP disclosed
US-7626021-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-12-01 — — US disclosed
WO-2009007751-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 — — WO disclosed
WO-2008124850-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 — — WO disclosed
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-12-13 — — US disclosed
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 — — US disclosed
WO-2007056075-A2 SIX MEMBERED HETEROAROMATIC INHIBITORS TARGETING RESISTANT KINASE MUTATIONS TARGEGEN, INC. (US) 2007-05-18 — — 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 (5 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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 AKT1 3920/4885AKT2 3931/4885IDO1 2041/4885
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, TTK, MAP3K19 AKT1 148/4885AKT2 257/4885IDO1 3942/4885
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators MAP3K20, TTK, MAP3K19 AKT1 148/4885AKT2 257/4885IDO1 3942/4885
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations ABL1, KDR, BCR AKT1 191/4885AKT2 443/4885IDO1 2380/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH AKT1 3860/4885AKT2 1905/4885IDO1 2411/4885

“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.