Sugi Predict

Sugi Predict / Compounds / SCHEMBL594117

SCHEMBL594117

SCHEMBL594117

CC(C)(C)OC(=O)Nc1cnc(F)cc1I

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 1/20 0.40
▸ BRD9 Q9H8M2 1/20 0.38
▸ SYK P43405 1/20 0.37
▸ AAK1 Q2M2I8 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ METAP1 P53582 1/20 0.37
▸ P2RX3 P56373 1/20 0.36
▸ KCNQ4 P56696 1/20 0.36
▸ KCNQ5 Q9NR82 1/20 0.36
▸ ATR Q13535 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ RORC P51449 3/20 0.35
▸ NAMPT P43490 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ BRD4 O60885 1/20 0.34

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
SCHEMBL29364468 0.84 ATR (0.42) CYP17A1BRD9AAK1METAP1P2RX3
SCHEMBL29751372 0.84 AAK1 (0.38) CYP17A1BRD9AAK1RXFP1METAP1
SCHEMBL12097975 0.84 BRD9 (0.39) CYP17A1BRD9AAK1METAP1P2RX3
SCHEMBL1427984 0.84 AAK1 (0.38) CYP17A1BRD9AAK1RXFP1METAP1
SCHEMBL1581324 0.84 ATR (0.42) CYP17A1BRD9AAK1METAP1P2RX3
SCHEMBL17336530 0.84 AAK1 (0.42) CYP17A1BRD9SYKAAK1RXFP1
SCHEMBL5778030 0.83 RXFP1 (0.40) CYP17A1BRD9SYKRXFP1METAP1
SCHEMBL25297301 0.83 ATR (0.41) CYP17A1BRD9SYKAAK1RXFP1
SCHEMBL15583603 0.83 AAK1 (0.41) CYP17A1BRD9SYKAAK1RXFP1
SCHEMBL30276680 0.83 ATR (0.41) CYP17A1BRD9SYKAAK1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12428421-B2 Pyrimidinones as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-30 — — US disclosed
CN-116987080-A Macrocyclic compounds with heterocyclic P2' groups as factor XIA inhibitors 百时美施贵宝公司 2023-11-03 — — CN disclosed
CN-110845498-B Macrocyclic compounds having heterocyclic P2' groups as factor XIA inhibitors 百时美施贵宝公司 2023-02-17 — — CN disclosed
EP-3988549-A1 MACROCYCLES WITH HETEROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2022-04-27 — — EP disclosed
US-11053247-B2 Pyrimidinones as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-06 — — US disclosed
CN-110845498-A Macrocyclic compounds having a heterocyclic P2' group as factor XIA inhibitors 百时美施贵宝公司 2020-02-28 — — CN disclosed
US-20200055854-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-02-20 — — US disclosed
US-10336754-B2 Pyrimidinones as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-07-02 — — US disclosed
EP-3392249-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2018-10-24 — — EP disclosed
US-20180186795-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2018-07-05 — — US disclosed
US-20160368923-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-22 — — US disclosed
EP-3099687-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2016-12-07 — — EP disclosed
US-9453018-B2 Pyrimidinones as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-27 — — US disclosed
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-04-07 — — US disclosed
WO-2015116886-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-06 — — WO disclosed
US-8114872-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2012-02-14 — — US disclosed
EP-2125793-B1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2010-09-01 — — EP disclosed
US-20100130466-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY 2010-05-27 — — US disclosed
EP-2155735-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2010-02-24 — — EP disclosed
WO-2008144222-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-11-27 — — 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 (8 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-11053247-B2 Pyrimidinones as factor XIA inhibitors TFPI, TFPI2, F11 CYP17A1 371/4885BRD9 3335/4885SYK 812/4885
US-20160368923-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 CYP17A1 426/4885BRD9 3358/4885SYK 784/4885
US-20180186795-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 CYP17A1 426/4885BRD9 3358/4885SYK 784/4885
US-20200055854-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 CYP17A1 371/4885BRD9 3335/4885SYK 812/4885
US-12428421-B2 Pyrimidinones as factor XIA inhibitors TFPI, TFPI2, F2 CYP17A1 426/4885BRD9 3358/4885SYK 784/4885
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 CYP17A1 426/4885BRD9 3358/4885SYK 784/4885
US-20100130466-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS DPYD, TP53, TYMP CYP17A1 4009/4885BRD9 898/4885SYK 2376/4885
US-10336754-B2 Pyrimidinones as factor XIa inhibitors TFPI, TFPI2, F2 CYP17A1 426/4885BRD9 3358/4885SYK 784/4885

“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.