Sugi Predict

Sugi Predict / Compounds / SCHEMBL26005084

SCHEMBL26005084

SCHEMBL26005084

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

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.89
▸ AURKB Q96GD4 4/20 0.89
▸ KDR P35968 4/20 0.89
▸ GABRA1 P14867 3/20 0.89
▸ PLK4 O00444 2/20 0.89
▸ PDPK1 O15530 2/20 0.89
▸ ABL1 P00519 2/20 0.89
▸ EGFR P00533 2/20 0.89
▸ LCK P06239 2/20 0.89
▸ HCK P08631 2/20 0.89
▸ ROS1 P08922 2/20 0.89
▸ FGFR1 P11362 2/20 0.89
▸ SRC P12931 2/20 0.89
▸ FER P16591 2/20 0.89
▸ FLT1 P17948 2/20 0.89
▸ CSNK2A2 P19784 2/20 0.89
▸ FGFR3 P22607 2/20 0.89
▸ EPHA2 P29317 2/20 0.89
▸ GRK5 P34947 2/20 0.89
▸ ABL2 P42684 2/20 0.89

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
SCHEMBL12454978 0.94 AURKA (0.89) AURKAAURKBKDRGABRA1PLK4
Alisertib SCHEMBL29437869 0.94 AURKA (1.00) AURKAAURKBKDRGABRA1PLK4
Alisertib SCHEMBL855823 0.94 AURKA (1.00) AURKAAURKBKDRGABRA1PLK4
Alisertib SCHEMBL29750414 0.94 AURKA (1.00) AURKAAURKBKDRGABRA1PLK4
Alisertib SCHEMBL29354333 0.94 AURKA (1.00) AURKAAURKBKDRGABRA1PLK4
Alisertib SCHEMBL29720486 0.94 AURKA (1.00) AURKAAURKBKDRGABRA1PLK4
Alisertib SCHEMBL15263514 0.93 AURKA (0.98) AURKAAURKBKDRGABRA1PLK4
Alisertib SCHEMBL854553 0.93 AURKA (0.98) AURKAAURKBKDRGABRA1PLK4
Alisertib SCHEMBL854552 0.93 AURKA (0.86) AURKAAURKBKDRGABRA1PLK4
Alisertib SCHEMBL29664627 0.93 AURKA (0.86) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230255975-A1 METHODS FOR TREATING CANCER WITH COMBINATION THERAPIES CELGENE CORPORATION 2023-08-17 — — US disclosed
US-20230158037-A1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS AND SECOND ACTIVE AGENTS FOR COMBINED USE CELGENE CORPORATION 2023-05-25 — — 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 (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-20230158037-A1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS AND SECOND ACTIVE AGENTS FOR COMBINED USE DOT1L, CARM1, EZH2 AURKA 293/4885AURKB 397/4885KDR 3305/4885
US-20230255975-A1 METHODS FOR TREATING CANCER WITH COMBINATION THERAPIES NEK1, NEK11, CDK9 AURKA 26/4885AURKB 10/4885KDR 2529/4885

“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.