Ilorasertib

Ilorasertib

SCHEMBL3381224

Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

AURKAAURKBAURKCBLKFGRFLT1FLT4FRKFYNHCKKDRLCKLYNPDGFRAPDGFRBSRCSRMSYES1

The experimentally established mechanism targets of Ilorasertib. 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
KDR known ✓ P35968 17/20 1.00
AURKB known ✓ Q96GD4 12/20 1.00
BLK known ✓ P51451 10/20 1.00
AURKA known ✓ O14965 10/20 1.00
FYN known ✓ P06241 10/20 1.00
LYN known ✓ P07948 9/20 1.00
FLT1 known ✓ P17948 9/20 1.00
LCK known ✓ P06239 9/20 1.00
SRC known ✓ P12931 8/20 1.00
FRK known ✓ P42685 7/20 1.00
SRMS known ✓ Q9H3Y6 5/20 1.00
PDGFRA known ✓ P16234 5/20 1.00
FLT4 known ✓ P35916 4/20 1.00
PDGFRB known ✓ P09619 3/20 1.00
AURKC known ✓ Q9UQB9 1/20 1.00
FGFR1 P11362 11/20 1.00
CSF1R P07333 10/20 1.00
STK3 Q13188 10/20 1.00
MAP4K4 O95819 10/20 1.00
NTRK1 P04629 10/20 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
Ilorasertib SCHEMBL29496449 1.00 KDR (1.00) KDRAURKBFGFR1CSF1RBLK
Ilorasertib SCHEMBL29373142 1.00 KDR (1.00) KDRAURKBFGFR1CSF1RBLK
Ilorasertib SCHEMBL11898929 0.99 KDR (0.98) KDRAURKBFGFR1CSF1RBLK
Ilorasertib SCHEMBL30406133 0.99 KDR (0.98) KDRAURKBFGFR1CSF1RBLK
Ilorasertib SCHEMBL11899788 0.97 KDR (0.94) KDRAURKBFGFR1CSF1RBLK
Ilorasertib SCHEMBL11900182 0.97 KDR (0.94) KDRAURKBFGFR1CSF1RBLK
Ilorasertib SCHEMBL11901361 0.97 KDR (0.94) KDRAURKBFGFR1CSF1RBLK
Ilorasertib SCHEMBL27917339 0.97 KDR (0.94) KDRAURKBFGFR1CSF1RBLK
Ilorasertib SCHEMBL11899442 0.96 KDR (0.93) KDRAURKBFGFR1CSF1RBLK
Ilorasertib SCHEMBL11899597 0.96 KDR (0.91) KDRAURKBFGFR1CSF1RBLK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2019161000-A1 METHODS FOR TREATING FIBROSIS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2019-08-22 WO claimed
US-20170197980-A1 N-(4-PHENYL)-N'-(3-FLUOROPHENYL)UREA DOCUSATE ABBVIE INC (US) 2017-07-13 US claimed
US-20160153052-A1 MARKER TO PREDICT AND MONITOR RESPONSE TO AURORA KINASE B INHIBITOR THERAPY ABBVIE INC. (US) 2016-06-02 US claimed
WO-2015200635-A1 N-(4-{4-AMINO-7-[1-(2-HYDROXYETHYL)-1H-PYRAZOL-4-yl]THIENO[3,2-c]PYRIDIN-3-YL}PHENYL)-N'-(3-FLUOROPHENYL)UREA DOCUSATE ABBVIE INC. (US) 2015-12-30 WO claimed
EP-2580221-B1 CRYSTALLINE FORMS OF KINASE INHIBITORS ABBVIE BAHAMAS LTD (BS) 2015-10-21 EP claimed
US-20150126545-A1 COMPOSITIONS CONTAINING KINASE INHIBITORS ABBVIE INC. (US) 2015-05-07 US claimed
EP-2580219-B1 CRYSTALLINE FORMS OF KINASE INHIBITORS ABBVIE BAHAMAS LTD (BS) 2015-02-25 EP claimed
EP-2580220-B1 CRYSTALLINE FORMS OF KINASE INHIBITORS ABBVIE BAHAMAS LTD (BS) 2015-02-11 EP claimed
US-8357804-B2 Crystal forms of kinase inhibitors ABBVIE INC. (US) 2013-01-22 US claimed
US-20120309783-A1 KINASE INHIBITORS WITH IMPROVED CYP SAFETY PROFILE ABBOTT LABORATORIES (US) 2012-12-06 US claimed
US-20120203002-A1 Crystalline Forms of Kinase Inhibitors ABBOTT LABORATORIES (US) 2012-08-09 US claimed
US-20120202844-A1 Crystal Forms of Kinase Inhibitors ABBOTT LABORATORIES (US) 2012-08-09 US claimed
US-20120149726-A1 Crystal Forms of Kinase Inhibitors ABBOTT LABORATORIES (US) 2012-06-14 US claimed
WO-2011156464-A1 CRYSTALLINE FORMS OF KINASE INHIBITORS ABBOTT LABORATORIES (US) 2011-12-15 WO claimed
WO-2011156473-A1 CRYSTALLINE FORMS OF KINASE INHIBITORS ABBOTT LABORATORIES (US) 2011-12-15 WO claimed
US-20110306632-A1 Solid Dispersions Containing Kinase Inhibitors ABBOTT LABORATORIES (US) 2011-12-15 US claimed
WO-2011156461-A1 CRYSTALLINE FORMS OF KINASE INHIBITORS ABBOTT LABORATORIES (US) 2011-12-15 WO claimed
US-20100144783-A1 KINASE INHIBITORS WITH IMPROVED CYP SAFETY PROFILE ABBOTT LABORATORIES (US) 2010-06-10 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 (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-20100144783-A1 KINASE INHIBITORS WITH IMPROVED CYP SAFETY PROFILE CYP3A43, CYP3A4, CYP1A2 KDR 28/4885AURKB 14/4885BLK 73/4885
US-20120309783-A1 KINASE INHIBITORS WITH IMPROVED CYP SAFETY PROFILE CYP3A43, CYP3A4, CYP1A2 KDR 28/4885AURKB 14/4885BLK 73/4885
US-20170197980-A1 N-(4-PHENYL)-N'-(3-FLUOROPHENYL)UREA DOCUSATE UMPS, UPP1, SLC14A1 KDR 2509/4885AURKB 2432/4885BLK 3231/4885

“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.