Theliatinib

Theliatinib

SCHEMBL29370993

C#Cc1cccc(Nc2ncnc3cc(OC)c(NC(=O)N4C[C@H]5CCN(C)[C@H]5C4)cc23)c1

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

EGFR

The experimentally established mechanism targets of Theliatinib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR known ✓ P00533 16/20 0.62
HDAC3 O15379 4/20 0.60
HDAC4 P56524 4/20 0.60
HDAC1 Q13547 4/20 0.60
HDAC7 Q8WUI4 4/20 0.60
HDAC2 Q92769 4/20 0.60
HDAC10 Q969S8 4/20 0.60
HDAC11 Q96DB2 4/20 0.60
HDAC8 Q9BY41 4/20 0.60
HDAC6 Q9UBN7 4/20 0.60
HDAC9 Q9UKV0 4/20 0.60
HDAC5 Q9UQL6 4/20 0.60
ERBB2 P04626 4/20 0.59
GAK O14976 2/20 0.57
ALDH1A1 P00352 1/20 0.57
FBP1 P09467 1/20 0.57
MAPT P10636 1/20 0.57
ERBB3 P21860 2/20 0.52
ERBB4 Q15303 2/20 0.52
PLK4 O00444 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
Theliatinib SCHEMBL247509 1.00 EGFR (0.62) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL13514684 0.95 EGFR (0.64) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL13514680 0.90 EGFR (0.66) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL13514745 0.87 EGFR (0.63) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL13514677 0.87 EGFR (0.68) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL1766079 0.86 EGFR (0.73) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL13514686 0.85 EGFR (0.66) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL13514674 0.85 EGFR (0.65) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL13514678 0.84 EGFR (0.65) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL13514688 0.84 EGFR (0.67) EGFRHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260069596-A1 USE OF PLK1 INHIBITOR AS MONOTHERAPY AND IN COMBINATION WITH CETUXIMAB IN TREATING RAS WILD-TYPE COLORECTAL CANCER CARDIFF ONCOLOGY INC (US) 2026-03-12 US claimed
EP-4683635-A1 USES OF A CHECKPOINT KINASE 1 (CHK1) INHIBITOR Boundless Bio, Inc. (US) 2026-01-28 EP claimed
US-20250367201-A1 COMBINATION THERAPY FOR TREATING ABNORMAL CELL GROWTH VERASTEM INC (US) 2025-12-04 US claimed
EP-4615869-A1 COMBINATION THERAPY COMPRISING BISPECIFIC ANTIBODIES COMPRISING AN NRP1 BINDING DOMAIN Pinetree Therapeutics, Inc. (US) 2025-09-17 EP claimed
US-20250275978-A1 USE OF ONVANSERTIB AS MONOTHERAPY AND IN COMBINATION WITH CETUXIMAB IN TREATING RAS WILD-TYPE COLORECTAL CANCER CARDIFF ONCOLOGY, INC. 2025-09-04 US claimed
CN-120091813-A Combination therapy for the treatment of abnormal cell growth 维瑞斯特姆股份有限公司 2025-06-03 CN claimed
EP-4531846-A1 COMBINATION THERAPY FOR TREATING ABNORMAL CELL GROWTH Verastem, Inc. (US) 2025-04-09 EP claimed
WO-2025049814-A2 RIBONUCLEOTIDE REDUCTASE (RNR) COMPOSITIONS AND METHODS OF USE BOUNDLESS BIO, INC. (US) 2025-03-06 WO claimed
WO-2024254465-A2 METHODS FOR PROMOTING EXPANSION OF HUMAN CD34+ CELLS IN VIVO AND FOR PROMOTING NEURAL REGENERATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-12-12 WO claimed
WO-2024196923-A1 USES OF A CHECKPOINT KINASE 1 (CHK1) INHIBITOR BOUNDLESS BIO, INC. (US) 2024-09-26 WO claimed
EP-4284519-A1 METHODS FOR TREATING AND AMELIORATING CANCER The Regents of the University of California (US) 2023-12-06 EP claimed
EP-4281560-A1 METHODS FOR TREATING AND AMELIORATING CANCER The Regents of the University of California (US) 2023-11-29 EP claimed
CN-116829142-A Methods for treating and ameliorating cancer 加利福尼亚大学董事会 2023-09-29 CN claimed
US-11723891-B2 Drug combinations for use in the treatment of RAS-mutant cancer UMC UTRECHT HOLDING B.V. (NL) 2023-08-15 US claimed
WO-2023051606-A1 MEDICAL USE OF SHP2 INHIBITOR IN COMBINATION WITH EGFR-TKI IN TREATMENT AND PREVENTION OF TUMOR DISEASES 上海翰森生物医药科技有限公司 2023-04-06 WO claimed
US-11612601-B1 Targeting epidermal growth factor to treat vascular calcification THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2023-03-28 US claimed
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-12 US claimed
WO-2022170060-A1 COMBINATION THERAPY FOR TREATING ABNORMAL CELL GROWTH VERASTEM, INC. (US) 2022-08-11 WO claimed
WO-2022165398-A1 METHODS FOR TREATING AND AMELIORATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-08-04 WO claimed
US-11390600-B2 Crystalline forms of C21H22Cl2N4O2 BIOMED VALLEY DISCOVERIES, INC. (US) 2022-07-19 US claimed

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-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP DAO, DDO, DCLRE1A EGFR 2435/4885HDAC3 2094/4885HDAC4 1940/4885
US-20260069596-A1 USE OF PLK1 INHIBITOR AS MONOTHERAPY AND IN COMBINATION WITH CETUXIMAB IN TREATING RAS WILD-TYPE COLORECTAL CANCER PLK1, BRAF, KRAS EGFR 6/4885HDAC3 2740/4885HDAC4 1696/4885
US-20250275978-A1 USE OF ONVANSERTIB AS MONOTHERAPY AND IN COMBINATION WITH CETUXIMAB IN TREATING RAS WILD-TYPE COLORECTAL CANCER KRAS, PLK1, NRAS EGFR 10/4885HDAC3 3012/4885HDAC4 1478/4885
US-20250367201-A1 COMBINATION THERAPY FOR TREATING ABNORMAL CELL GROWTH KRAS, NRAS, HRAS EGFR 24/4885HDAC3 2152/4885HDAC4 1288/4885
US-11390600-B2 Crystalline forms of C21H22Cl2N4O2 CYP2F1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CA4 EGFR 569/4885HDAC3 2519/4885HDAC4 1315/4885

“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.