SCHEMBL16971663

SCHEMBL16971663

COc1cc(-c2cc(Cl)ccc2-n2cc([Si](C)(C)C)nn2)ncn1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.40
▸ F11 P03951 15/20 0.36
▸ KLKB1 P03952 13/20 0.36
▸ GRM7 Q14831 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ KCNH2 Q12809 1/20 0.32

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
SCHEMBL16972351 0.89 F11 (0.41) F11KLKB1CYP3A4
SCHEMBL18316524 0.86 F11 (0.37) NOTUMF11KLKB1CYP3A4
SCHEMBL16971384 0.86 NOTUM (0.38) NOTUMF11KLKB1CYP3A4KCNH2
SCHEMBL16971407 0.86 F11 (0.35) NOTUMF11KLKB1GRM7CYP3A4
SCHEMBL16971576 0.84 NOTUM (0.41) NOTUMF11KLKB1CYP3A4KCNH2
SCHEMBL25464176 0.83 F11 (0.34) NOTUMF11KLKB1GRM7CYP3A4
SCHEMBL18710672 0.83 NR1I2 (0.39) NOTUMF11KLKB1CYP3A4KCNH2
SCHEMBL16974699 0.83 F11 (0.36) NOTUMF11KLKB1CYP3A4KCNH2
SCHEMBL16971318 0.83 F11 (0.35) F11KLKB1CYP3A4
SCHEMBL30271794 0.83 F11 (0.35) F11KLKB1CYP3A4

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 127 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-118406037-B Triazole derivative and preparation method and application thereof 四川师范大学 2025-02-25 — — CN disclosed
CN-116283750-B Heterocyclic amide derivative and preparation method and application thereof 成都泰和伟业生物科技有限公司 2025-02-07 — — CN disclosed
CN-118406037-A Triazole derivative and preparation method and application thereof 四川师范大学 2024-07-30 — — CN disclosed
CN-114805365-B Factor XIA new macrocycles carrying non-aromatic P2' groups 百时美施贵宝公司 2024-07-23 — — CN disclosed
CN-115515938-B Salts of FXIa inhibitor compounds, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2024-05-10 — — CN disclosed
EP-4286372-A2 PYRIMIDINONES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2023-12-06 — — EP disclosed
EP-3953334-B1 NOVEL SYNTHETIC OPTIONS TOWARDS THE MANUFACTURE OF (6R,10S)-10- {4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)- PYRIMIDINYL}- 1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15 -(METHENO)PYRAZOLO [4,3-B] [1,7] DIAZACYCLOTETRADECIN-5(6H)-ONE BRISTOL MYERS SQUIBB CO (US) 2023-11-22 — — EP 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
EP-4234555-A2 NOVEL SYNTHETIC OPTIONS TOWARDS THE MANUFACTURE OF (6R,10S)-10- {4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)- PYRIMIDINYL}- 1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15 -(METHENO)PYRAZOLO [4,3-B] [1,7] DIAZACYCLOTETRADECIN-5(6H)-ONE Bristol-Myers Squibb Company (US) 2023-08-30 — — 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
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-04-07 — — US disclosed
WO-2016053455-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-07 — — WO disclosed
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-04-07 — — US disclosed
WO-2016053455-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-07 — — WO disclosed
WO-2015116885-A1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-06 — — WO disclosed
WO-2015116886-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-06 — — WO disclosed
WO-2015116886-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-06 — — WO disclosed
WO-2015116885-A1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-06 — — 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-12428421-B2 Pyrimidinones as factor XIA inhibitors TFPI, TFPI2, F2 NOTUM 3214/4885F11 4/4885KLKB1 7/4885
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 NOTUM 3214/4885F11 4/4885KLKB1 7/4885

“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.

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