SCHEMBL10072296

SCHEMBL10072296

COc1cc(Nc2ncc3c(n2)-c2ccccc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.86
KDR P35968 7/20 0.86
AURKB Q96GD4 6/20 0.86
PTK2 Q05397 4/20 0.86
GABRA1 P14867 3/20 0.86
PLK4 O00444 2/20 0.86
PDPK1 O15530 2/20 0.86
ABL1 P00519 2/20 0.86
EGFR P00533 2/20 0.86
LCK P06239 2/20 0.86
HCK P08631 2/20 0.86
ROS1 P08922 2/20 0.86
FGFR1 P11362 2/20 0.86
SRC P12931 2/20 0.86
FER P16591 2/20 0.86
FLT1 P17948 2/20 0.86
CSNK2A2 P19784 2/20 0.86
FGFR3 P22607 2/20 0.86
EPHA2 P29317 2/20 0.86
GRK5 P34947 2/20 0.86

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
SCHEMBL2391649 0.93 AURKA (0.83) AURKAKDRAURKBPTK2GABRA1
SCHEMBL12054065 0.93 AURKA (0.75) AURKAKDRAURKBPTK2GABRA1
SCHEMBL2390573 0.93 AURKA (0.84) AURKAKDRAURKBPTK2GABRA1
Alisertib SCHEMBL29720486 0.92 AURKA (1.00) AURKAKDRAURKBPTK2GABRA1
Alisertib SCHEMBL29750414 0.92 AURKA (1.00) AURKAKDRAURKBPTK2GABRA1
Alisertib SCHEMBL29437869 0.92 AURKA (1.00) AURKAKDRAURKBPTK2GABRA1
Alisertib SCHEMBL855823 0.92 AURKA (1.00) AURKAKDRAURKBPTK2GABRA1
SCHEMBL12054412 0.92 AURKA (0.86) AURKAKDRAURKBPTK2GABRA1
Alisertib SCHEMBL29354333 0.92 AURKA (1.00) AURKAKDRAURKBPTK2GABRA1
SCHEMBL23179048 0.92 AURKA (0.73) AURKAKDRAURKBPTK2GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2497773-A1 Process for preparing a 5H-pyrimido[5,4-d][2]benzazepine Millennium Pharmaceuticals, Inc. (US) 2012-09-12 EP disclosed
EP-2497772-A1 Compound for inhibiting mitotic progression Millennium Pharmaceuticals, Inc. (US) 2012-09-12 EP disclosed
EP-2086981-B1 COMPOUNDS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARM INC (US) 2012-05-02 EP disclosed
US-20110312942-A1 AURORA KINASE INHIBITORS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
US-8026246-B2 Anticancer agents; for breasts, ovaries,, prostate gland cancer; kinase inhibitors Millennium Pharmaceuticials, Inc. (US) 2011-09-27 US disclosed
US-20080167292-A1 Compounds for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-10 US disclosed
WO-2008063525-A1 COMPOUNDS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-05-29 WO 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 (2 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-20080167292-A1 Compounds for inhibiting mitotic progression AURKC, AURKA, AURKB AURKA 2/4885KDR 3573/4885AURKB 3/4885
US-20110312942-A1 AURORA KINASE INHIBITORS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB AURKA 2/4885KDR 2988/4885AURKB 3/4885

“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.