Alisertib

Alisertib

SCHEMBL855823

COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

AURKA

The experimentally established mechanism targets of Alisertib. 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
AURKA known ✓ O14965 7/20 1.00
AURKB Q96GD4 4/20 1.00
KDR P35968 4/20 1.00
GABRA1 P14867 3/20 1.00
PLK4 O00444 2/20 1.00
PDPK1 O15530 2/20 1.00
ABL1 P00519 2/20 1.00
EGFR P00533 2/20 1.00
LCK P06239 2/20 1.00
HCK P08631 2/20 1.00
ROS1 P08922 2/20 1.00
FGFR1 P11362 2/20 1.00
SRC P12931 2/20 1.00
FER P16591 2/20 1.00
FLT1 P17948 2/20 1.00
CSNK2A2 P19784 2/20 1.00
FGFR3 P22607 2/20 1.00
EPHA2 P29317 2/20 1.00
GRK5 P34947 2/20 1.00
ABL2 P42684 2/20 1.00

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
Alisertib SCHEMBL29354333 1.00 AURKA (1.00) AURKAAURKBKDRGABRA1PLK4
Alisertib SCHEMBL29437869 1.00 AURKA (1.00) AURKAAURKBKDRGABRA1PLK4
Alisertib SCHEMBL29720486 1.00 AURKA (1.00) AURKAAURKBKDRGABRA1PLK4
Alisertib SCHEMBL29750414 1.00 AURKA (1.00) AURKAAURKBKDRGABRA1PLK4
Alisertib SCHEMBL15263514 0.99 AURKA (0.98) AURKAAURKBKDRGABRA1PLK4
Alisertib SCHEMBL854553 0.99 AURKA (0.98) AURKAAURKBKDRGABRA1PLK4
Alisertib SCHEMBL14125416 0.98 AURKA (0.97) AURKAAURKBKDRGABRA1PLK4
SCHEMBL2389378 0.97 AURKA (0.94) AURKAAURKBKDRGABRA1PLK4
SCHEMBL2389355 0.94 AURKA (0.89) AURKAAURKBKDRGABRA1PLK4
SCHEMBL20214913 0.94 AURKA (0.89) AURKAAURKBKDRGABRA1PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250064824-A1 ADMINISTRATION OF AURORA KINASE INHIBITOR AND CHEMOTHERAPEUTIC AGENTS MILLENNIUM PHARM INC (US) 2025-02-27 US claimed
US-12042499-B2 Administration of aurora kinase inhibitor and chemotherapeutic agents MILLENNIUM PHARMACEUTICALS, INC. (US) 2024-07-23 US claimed
US-11331272-B2 Hyperstabilized liposomes increase targeting of mitotic cells TEMASEK LIFE SCIENCES LABORATORY LIMITED (SG) 2022-05-17 US claimed
EP-2432456-B1 SOLID PHARMACEUTICAL COMPOSITIONS AND PROCESSES FOR THEIR PRODUCTION MILLENNIUM PHARM INC (US) 2021-12-29 EP claimed
US-20210213037-A1 METHODS FOR TREATING FIBROSIS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2021-07-15 US claimed
EP-2713727-B1 COMBINATION OF MEK INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2021-03-31 EP claimed
US-20200397799-A1 ADMINISTRATION OF AURORA KINASE INHIBITOR AND CHEMOTHERAPEUTIC AGENTS MILLENNIUM PHARMACEUTICALS, INC. 2020-12-24 US claimed
EP-3317427-B1 BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2020-12-23 EP claimed
EP-3752161-A1 METHODS FOR TREATING FIBROSIS Children's Hospital Medical Center (US) 2020-12-23 EP claimed
EP-2976086-B1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2020-10-14 EP claimed
WO-2013083098-A2 METHOD OF DETERMINATION OF CANCER CELL DRUG SENSITIVITY TOWARDS AURORA KINASE INHIBITORS PALACKY UNIVERSITY, OLOMOUC (CZ) 2013-06-13 WO claimed
EP-2602330-A1 Method of determination of cancer cell drug sensitivity towards Aurora kinase inhibitors and overcoming their resistance Palacky University, Olomouc (CZ) 2013-06-12 EP claimed
EP-2497772-A1 Compound for inhibiting mitotic progression Millennium Pharmaceuticals, Inc. (US) 2012-09-12 EP claimed
EP-2086981-B1 COMPOUNDS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARM INC (US) 2012-05-02 EP claimed
US-20110312943-A1 AURORA KINASE INHIBITORS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-12-22 US claimed
US-8026246-B2 Anticancer agents; for breasts, ovaries,, prostate gland cancer; kinase inhibitors Millennium Pharmaceuticials, Inc. (US) 2011-09-27 US claimed
US-20100183601-A1 Combination of Aurora Kinase Inhibitors and Anti-CD20 Antibodies MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-07-22 US claimed
EP-2086981-A1 COMPOUNDS FOR INHIBITING MITOTIC PROGRESSION Millennium Pharmaceuticals, Inc. (US) 2009-08-12 EP claimed
US-20080167292-A1 Compounds for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-10 US claimed
WO-2008063525-A1 COMPOUNDS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-05-29 WO 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 (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-20200397799-A1 ADMINISTRATION OF AURORA KINASE INHIBITOR AND CHEMOTHERAPEUTIC AGENTS AURKB, AURKA, AURKC AURKA 2/4885AURKB 1/4885KDR 3873/4885
US-20080167292-A1 Compounds for inhibiting mitotic progression AURKC, AURKA, AURKB AURKA 2/4885AURKB 3/4885KDR 3573/4885
US-20250064824-A1 ADMINISTRATION OF AURORA KINASE INHIBITOR AND CHEMOTHERAPEUTIC AGENTS AURKB, AURKA, AURKC AURKA 2/4885AURKB 1/4885KDR 3873/4885
US-20100183601-A1 Combination of Aurora Kinase Inhibitors and Anti-CD20 Antibodies AURKC, AURKB, AURKA AURKA 3/4885AURKB 2/4885KDR 971/4885
US-12042499-B2 Administration of aurora kinase inhibitor and chemotherapeutic agents AURKB, AURKA, AURKC AURKA 2/4885AURKB 1/4885KDR 3873/4885
US-20110312943-A1 AURORA KINASE INHIBITORS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB AURKA 2/4885AURKB 3/4885KDR 2988/4885

“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.