Sugi Predict

Sugi Predict / Compounds / SCHEMBL3535796

SCHEMBL3535796

SCHEMBL3535796

CC(C)(C)C(=O)Nc1ccccc1Cl

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 4/20 0.68
▸ PDK2 Q15119 4/20 0.68
▸ PDK3 Q15120 4/20 0.68
▸ PDK4 Q16654 4/20 0.68
▸ CETP P11597 1/20 0.61
▸ RAB9A P51151 3/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ GLA P06280 1/20 0.58
▸ ATM Q13315 1/20 0.58
▸ CYP1A2 P05177 2/20 0.55
▸ HPGD P15428 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ LMNA P02545 2/20 0.53
▸ POLB P06746 1/20 0.51

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
SCHEMBL29524443 1.00 PDK1 (0.68) PDK1PDK2PDK3PDK4CETP
SCHEMBL5706504 0.86 CETP (0.71) PDK1PDK2PDK3PDK4CETP
SCHEMBL15621420 0.85 PDK1 (0.69) PDK1PDK2PDK3PDK4CETP
SCHEMBL11436320 0.84 PDK1 (0.62) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL3793230 0.84 PDK1 (0.55) PDK1PDK2PDK3PDK4CETP
SCHEMBL29191887 0.84 PDK1 (0.62) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL2432475 0.84 LMNA (0.72) CETPKMT2AALDH1A1HPGDLMNA
SCHEMBL3785961 0.82 CETP (0.58) PDK1PDK2PDK3PDK4CETP
SCHEMBL28316139 0.82 PDK1 (0.60) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL10386144 0.82 PDK1 (0.60) PDK1PDK2PDK3PDK4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110204450-B Synthesis method of 4-chloro-2-trifluoroacetylaniline hydrochloride hydrate 浙江江北药业有限公司 2022-05-03 — — CN disclosed
US-11220506-B2 Imidazo[1,5-a]pyrazine derivatives as PI3Kdelta inhibitors BEIGENE, LTD. (KY) 2022-01-11 — — US disclosed
CN-108997150-B Preparation method of efavirenz intermediate 江苏沙星化工有限公司 2021-01-12 — — CN disclosed
US-10711036-B2 MALT1 inhibitors and uses thereof CORNELL UNIVERSITY (US) 2020-07-14 — — US disclosed
US-20200207774-A1 IMIDAZO[1,5-A]PYRAZINE DERIVATIVES AS PI3KDELTA INHIBITORS BEONE MEDICINES I GMBH (CH) 2020-07-02 — — US disclosed
CN-110204450-A A kind of synthetic method of the chloro- 2- trifluoroacetyl aniline hydrochloride hydrate of 4- 浙江江北药业有限公司 2019-09-06 — — CN disclosed
US-20130095100-A1 HETEROCYCLIC KINASE INHIBITORS CONCERT PHARMACEUTICALS, INC. (US) 2013-04-18 — — US disclosed
US-20130095100-A1 HETEROCYCLIC KINASE INHIBITORS CONCERT PHARMACEUTICALS, INC. (US) 2013-04-18 — — US disclosed
US-8338425-B2 Heterocyclic kinase inhibitors CONCERT PHARMACEUTICALS, INC. (US) 2012-12-25 — — US disclosed
US-8338425-B2 Heterocyclic kinase inhibitors CONCERT PHARMACEUTICALS, INC. (US) 2012-12-25 — — US disclosed
EP-2222166-B1 HETEROCYCLIC KINASE INHIBITORS CONCERT PHARMACEUTICALS INC (US) 2012-06-27 — — EP disclosed
EP-2222166-A1 HETEROCYCLIC KINASE INHIBITORS Concert Pharmaceuticals Inc. (US) 2010-09-01 — — EP disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 — — US disclosed
WO-2009076373-A1 HETEROCYCLIC KINASE INHIBITORS CONCERT PHARMACEUTICALS INC. (US) 2009-06-18 — — WO disclosed
US-20090149399-A1 HETEROCYCLIC KINASE INHIBITORS CONCERT PHARMACEUTICALS INC. (US) 2009-06-11 — — US disclosed
US-20090149399-A1 HETEROCYCLIC KINASE INHIBITORS CONCERT PHARMACEUTICALS INC. (US) 2009-06-11 — — US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 — — EP disclosed
US-7342016-B2 Farnesyl protein transferase inhibitors as antitumor agents SCHERING CORPORATION (US) 2008-03-11 — — US disclosed
CN-1039904-C Herbicides RHONE POULENC AGRICULTURE (GB) 1998-09-23 — — CN disclosed
CN-1104212-A Herbicides RHONE POULENC AGRICULTURE (GB) 1995-06-28 — — CN 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 (6 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-20200207774-A1 IMIDAZO[1,5-A]PYRAZINE DERIVATIVES AS PI3KDELTA INHIBITORS PIK3CD, PIK3R5, PIK3CA PDK1 123/4885PDK2 455/4885PDK3 797/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 PDK1 2822/4885PDK2 1089/4885PDK3 1054/4885
US-20090149399-A1 HETEROCYCLIC KINASE INHIBITORS ABL1, ABL2, SRC PDK1 599/4885PDK2 584/4885PDK3 987/4885
US-10711036-B2 MALT1 inhibitors and uses thereof MALT1, BCL3, BCL6 PDK1 1375/4885PDK2 3586/4885PDK3 3594/4885
US-20130095100-A1 HETEROCYCLIC KINASE INHIBITORS ABL1, ABL2, SRC PDK1 599/4885PDK2 584/4885PDK3 987/4885
US-11220506-B2 Imidazo[1,5-a]pyrazine derivatives as PI3Kdelta inhibitors PIK3CD, PIK3R5, PIK3CA PDK1 123/4885PDK2 455/4885PDK3 797/4885

“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.

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