SCHEMBL16971567

SCHEMBL16971567

COc1cc(-c2cc(Cl)ccc2-n2cc(C(F)F)nn2)ncn1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 20/20 0.43
▸ KLKB1 P03952 20/20 0.43
▸ CYP3A4 P08684 2/20 0.43

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 0.87 F11 (0.41) F11KLKB1CYP3A4
SCHEMBL18316524 0.84 F11 (0.37) F11KLKB1CYP3A4
SCHEMBL16971384 0.84 NOTUM (0.38) F11KLKB1CYP3A4
SCHEMBL16971407 0.84 F11 (0.35) F11KLKB1CYP3A4
SCHEMBL16971450 0.84 F11 (0.40) F11KLKB1CYP3A4
SCHEMBL31252194 0.83 F11 (0.45) F11KLKB1CYP3A4
SCHEMBL16971533 0.83 NOTUM (0.41) F11KLKB1CYP3A4
SCHEMBL16971541 0.83 F11 (0.42) F11KLKB1CYP3A4
SCHEMBL16971663 0.83 NOTUM (0.40) F11KLKB1CYP3A4
SCHEMBL24633281 0.82 F11 (0.50) 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 45 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
CN-108026083-B Diamide macrocycles as factor XIA inhibitors 百时美施贵宝公司 2021-08-27 — — CN disclosed
US-11053247-B2 Pyrimidinones as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-06 — — US disclosed
US-11053247-B2 Pyrimidinones as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-06 — — US disclosed
EP-3099686-B1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-03-11 — — EP 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-9453018-B2 Pyrimidinones as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-27 — — US disclosed
US-9453018-B2 Pyrimidinones as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-27 — — US 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
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-04-07 — — US 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 (4 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 F11 3/4885KLKB1 6/4885CYP3A4 915/4885
US-20200055854-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 F11 3/4885KLKB1 6/4885CYP3A4 915/4885
US-12428421-B2 Pyrimidinones as factor XIA inhibitors TFPI, TFPI2, F2 F11 4/4885KLKB1 7/4885CYP3A4 990/4885
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 F11 4/4885KLKB1 7/4885CYP3A4 990/4885

“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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