Sugi Predict

Sugi Predict / Compounds / SCHEMBL2235627

SCHEMBL2235627

SCHEMBL2235627

CC(C)(C)OC(=O)n1cc(I)c2c(Cl)ccnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ ATR Q13535 1/20 0.34
▸ BCHE P06276 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GPR119 Q8TDV5 5/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ STS P08842 1/20 0.32
▸ ELANE P08246 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ BUB1 O43683 1/20 0.32
▸ TTK P33981 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ ABL1 P00519 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
SCHEMBL10104606 0.83 CFTR (0.36) POLBBCHEGABRG2GABRB3GABRA5
SCHEMBL16606149 0.81 POLB (0.37) POLBHSP90AA1HSP90AB1ATRBCHE
SCHEMBL31409645 0.81 POLB (0.42) POLBHSP90AA1HSP90AB1ATRBCHE
SCHEMBL22924001 0.80 SRC (0.43) POLBHSP90AA1HSP90AB1BCHEGPR119
SCHEMBL26811347 0.80 ADK (0.43) POLBHSP90AA1HSP90AB1FLT3PIK3CD
SCHEMBL31440096 0.77 POLB (0.36) POLBATRGABRG2GABRB3GABRA5
SCHEMBL10072162 0.76 GPR119 (0.35) POLBHSP90AA1HSP90AB1BCHEGABRG2
SCHEMBL25280549 0.76 ALK (0.32) POLBPIK3CDABL1EGFRHCK
SCHEMBL295518 0.76 ELANE (0.55) POLBGPR119ELANEL3MBTL1
SCHEMBL580658 0.76 ENPP3 (0.48) POLBHSP90AA1HSP90AB1ATRBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 — — US disclosed
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 — — US disclosed
US-11547697-B2 Heterocyclic compounds and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2023-01-10 — — US disclosed
US-20190350906-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2019-11-21 — — US disclosed
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2018-02-15 — — US disclosed
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2018-02-15 — — US disclosed
US-9682141-B2 Combination of kinase inhibitors and uses thereof INTELLIKINE LLC (US) 2017-06-20 — — US disclosed
US-9682141-B2 Combination of kinase inhibitors and uses thereof INTELLIKINE LLC (US) 2017-06-20 — — US disclosed
US-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF INTELLIKINE LLC 2016-08-18 — — US disclosed
US-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF INTELLIKINE LLC 2016-08-18 — — US disclosed
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2013-02-07 — — US disclosed
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 — — US disclosed
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 — — US disclosed
WO-2012148540-A1 COMBINATION OF KANASE INHIBITORS AND USES THREOF INTELLIKINE, LLC (US) 2012-11-01 — — WO disclosed
WO-2012116237-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2012-08-30 — — WO disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 — — US disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 — — US disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 — — US disclosed
CN-102143746-A CDK modulators EXELIXIS INC 2011-08-03 — — CN disclosed
WO-2011022439-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. (US) 2011-02-24 — — 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 (8 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-20230321050-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB POLB 2432/4885HSP90AA1 1309/4885HSP90AB1 921/4885
US-11547697-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB POLB 2432/4885HSP90AA1 1309/4885HSP90AB1 921/4885
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB POLB 2432/4885HSP90AA1 1309/4885HSP90AB1 921/4885
US-20110201599-A1 CDK Modulators CDK3, CDK1, CDKL1 POLB 340/4885HSP90AA1 2812/4885HSP90AB1 2636/4885
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB POLB 2432/4885HSP90AA1 1309/4885HSP90AB1 921/4885
US-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF MTOR, RPTOR, RICTOR POLB 3320/4885HSP90AA1 519/4885HSP90AB1 300/4885
US-20190350906-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB POLB 2432/4885HSP90AA1 1309/4885HSP90AB1 921/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 POLB 2762/4885HSP90AA1 497/4885HSP90AB1 269/4885

“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.