Ibcasertib

Ibcasertib

SCHEMBL3757428

COc1ccc2c(Oc3ccc4c(C(=O)Nc5ccccc5N)cccc4c3)ccnc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

AURKBFLT1FLT4KDR

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

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR known ✓ P35968 19/20 0.71
AURKB known ✓ Q96GD4 4/20 0.70
FLT1 known ✓ P17948 1/20 0.60
FLT4 known ✓ P35916 1/20 0.60
PDGFRA P16234 1/20 1.00
AURKA O14965 6/20 0.70
MET P08581 6/20 0.70
TEK Q02763 6/20 0.70
CYP3A4 P08684 2/20 0.63
CYP2D6 P10635 1/20 0.62
LCK P06239 3/20 0.61
CSF1R P07333 1/20 0.60
BRAF P15056 1/20 0.60
FGFR2 P21802 1/20 0.60

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
Ibcasertib SCHEMBL29883432 1.00 PDGFRA (1.00) PDGFRAKDRAURKAMETTEK
Ibcasertib SCHEMBL29369945 1.00 PDGFRA (1.00) PDGFRAKDRAURKAMETTEK
SCHEMBL3747657 0.92 PDGFRA (0.85) PDGFRAKDRAURKAMETTEK
SCHEMBL3758008 0.91 PDGFRA (0.83) PDGFRAKDRAURKAMETTEK
SCHEMBL3757940 0.90 PDGFRA (0.81) PDGFRAKDRAURKAMETTEK
SCHEMBL3753779 0.89 PDGFRA (0.81) PDGFRAKDRAURKAMETTEK
SCHEMBL3753804 0.89 PDGFRA (0.80) PDGFRAKDRAURKAMETTEK
SCHEMBL7788968 0.87 PDGFRA (0.76) PDGFRAKDRAURKAMETTEK
SCHEMBL2746823 0.87 KDR (0.84) PDGFRAKDRAURKAMETTEK
SCHEMBL5774867 0.85 KDR (0.83) PDGFRAKDRAURKAMETTEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118178650-A Application of naphthalimide derivative in preparation of hepatocellular carcinoma radiotherapy sensitization drugs 中山大学附属第五医院 2024-06-14 CN claimed
CN-117377492-A Pharmaceutical composition containing protein kinase inhibitor and medical application thereof 深圳微芯生物科技股份有限公司 2024-01-09 CN claimed
US-20210213037-A1 METHODS FOR TREATING FIBROSIS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2021-07-15 US claimed
EP-3752161-A1 METHODS FOR TREATING FIBROSIS Children's Hospital Medical Center (US) 2020-12-23 EP claimed
CN-107868044-B Non-solvation crystal and preparation method and application thereof 深圳微芯生物科技股份有限公司 2020-10-16 CN claimed
WO-2019161000-A1 METHODS FOR TREATING FIBROSIS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2019-08-22 WO claimed
CN-117377492-A Pharmaceutical composition containing protein kinase inhibitor and medical application thereof 深圳微芯生物科技股份有限公司 2024-01-09 CN disclosed
WO-2023130150-A2 SYSTEMS, CELL LINES AND METHODS OF PRODUCING AND USING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-07-06 WO disclosed
US-20230117545-A1 PHARMACEUTICAL COMPOSITION COMPRISING PROTEIN KINASE INHIBITOR AND CHEMOTHERAPEUTIC DRUG AND USE THEREOF SHENZHEN CHIPSCREEN BIOSCIENCES CO., LTD. (CN) 2023-04-20 US disclosed
US-20220184055-A1 CHIAURANIB FOR TREATMENT OF SMALL CELL LUNG CANCER SHENZHEN CHIPSCREEN BIOSCIENCES CO., LTD. (CN) 2022-06-16 US disclosed
EP-3949966-A1 CHIAURANIB FOR TREATMENT OF SMALL CELL LUNG CANCER Shenzhen Chipscreen Biosciences Co., Ltd. (CN) 2022-02-09 EP disclosed
WO-2021144360-A1 SMALL MOLECULE CSF-1R INHIBITORS IN THERAPEUTIC AND COSMETIC USES F. HOFFMANN-LA ROCHE AG (CH) 2021-07-22 WO disclosed
US-20210213037-A1 METHODS FOR TREATING FIBROSIS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2021-07-15 US disclosed
WO-2019161000-A1 METHODS FOR TREATING FIBROSIS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2019-08-22 WO disclosed
US-8211901-B2 Naphthamide derivatives as multi-target protein kinase inhibitors and histone deacetylase inhibitors SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2012-07-03 US disclosed
US-8211901-B2 Naphthamide derivatives as multi-target protein kinase inhibitors and histone deacetylase inhibitors SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2012-07-03 US disclosed
US-8211901-B2 Naphthamide derivatives as multi-target protein kinase inhibitors and histone deacetylase inhibitors SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2012-07-03 US disclosed
US-20100298358-A1 Naphthamide Derivatives As Multi-Target Protein Kinase Inhibitors and Histone Deacetylase Inhibitors SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2010-11-25 US disclosed
US-20100298358-A1 Naphthamide Derivatives As Multi-Target Protein Kinase Inhibitors and Histone Deacetylase Inhibitors SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2010-11-25 US disclosed
US-20100298358-A1 Naphthamide Derivatives As Multi-Target Protein Kinase Inhibitors and Histone Deacetylase Inhibitors SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2010-11-25 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 (3 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-20230117545-A1 PHARMACEUTICAL COMPOSITION COMPRISING PROTEIN KINASE INHIBITOR AND CHEMOTHERAPEUTIC DRUG AND USE THEREOF PLK1, CHEK2, CHEK1 KDR 523/4885AURKB 48/4885FLT1 1538/4885
US-20100298358-A1 Naphthamide Derivatives As Multi-Target Protein Kinase Inhibitors and Histone Deacetylase Inhibitors HDAC1, HDAC2, HDAC5 KDR 2729/4885AURKB 586/4885FLT1 3724/4885
US-20220184055-A1 CHIAURANIB FOR TREATMENT OF SMALL CELL LUNG CANCER CHIA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, DCK KDR 218/4885AURKB 9/4885FLT1 598/4885

“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.