SCHEMBL17855986

SCHEMBL17855986

CC(C)(C)C(=O)Nc1c(F)cccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 3/20 0.58
▸ PDK2 Q15119 3/20 0.58
▸ PDK3 Q15120 3/20 0.58
▸ PDK4 Q16654 3/20 0.58
▸ HTT P42858 1/20 0.47
▸ GAA P10253 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ TLR7 Q9NYK1 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ DHODH Q02127 1/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ PTGS2 P35354 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
SCHEMBL30447460 1.00 PDK1 (0.58) PDK1PDK2PDK3PDK4HTT
SCHEMBL12666582 0.88 PDK1 (0.67) PDK1PDK2PDK3PDK4HTT
SCHEMBL12666585 0.88 L3MBTL1 (0.52) PDK1PDK2PDK3PDK4HTT
SCHEMBL15569990 0.85 PDK1 (0.55) PDK1PDK2PDK3PDK4GAA
SCHEMBL20362848 0.81 PDK1 (0.50) PDK1PDK2PDK3PDK4HTT
SCHEMBL3793230 0.81 PDK1 (0.55) PDK1PDK2PDK3PDK4HTT
SCHEMBL14866056 0.81 PDK1 (0.70) PDK1PDK2PDK3PDK4HTT
SCHEMBL5022147 0.81 GAA (0.50) PDK1PDK2PDK3PDK4GAA
SCHEMBL29656890 0.80 ALDH1A1 (0.44) PDK1PDK2PDK3PDK4HTT
SCHEMBL2971730 0.80 ALDH1A1 (0.44) PDK1PDK2PDK3PDK4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250122174-A1 Heteroaryl Compounds As HPK1 Inhibitors And Methods Of Using Same SHENZHEN YUANLI SHENWAN INNOVATIVE MEDICINE CO LTD (CN) 2025-04-17 — — US disclosed
WO-2023137406-A1 HETEROARYL COMPOUNDS AS HPK1 INHIBITORS AND METHODS OF USING SAME SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) 2023-07-20 — — WO disclosed
WO-2023137406-A1 HETEROARYL COMPOUNDS AS HPK1 INHIBITORS AND METHODS OF USING SAME SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) 2023-07-20 — — WO disclosed
US-10017478-B2 Inhibitors of ACK1/TNK2 tyrosine kinase H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-07-10 — — US disclosed
US-10017478-B2 Inhibitors of ACK1/TNK2 tyrosine kinase H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-07-10 — — US disclosed
US-20180155297-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-06-07 — — US disclosed
US-20180155297-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-06-07 — — US disclosed
US-9850216-B2 Inhibitors of ACK1/TNK2 tyrosine kinase H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-12-26 — — US disclosed
US-9850216-B2 Inhibitors of ACK1/TNK2 tyrosine kinase H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-12-26 — — US disclosed
US-20160176826-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-23 — — 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 (4 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-20160176826-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE TNK1, TNNI3K, TNK2 PDK1 441/4885PDK2 140/4885PDK3 220/4885
US-10017478-B2 Inhibitors of ACK1/TNK2 tyrosine kinase TNK1, TNNI3K, TNK2 PDK1 441/4885PDK2 140/4885PDK3 220/4885
US-20180155297-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE TNK1, TNNI3K, TNK2 PDK1 441/4885PDK2 140/4885PDK3 220/4885
US-20250122174-A1 Heteroaryl Compounds As HPK1 Inhibitors And Methods Of Using Same SGK1, HYPK, PCK1 PDK1 229/4885PDK2 89/4885PDK3 62/4885

“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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