SCHEMBL16971978

SCHEMBL16971978

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 1/20 0.34
▸ F11 P03951 12/20 0.34
▸ KLKB1 P03952 12/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ GAA P10253 1/20 0.33
▸ RXRA P19793 2/20 0.32
▸ GRIN1 Q05586 2/20 0.32
▸ GRIN2B Q13224 2/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ CYP1A1 P04798 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ PRSS2 P07478 1/20 0.32
▸ CYP2C8 P10632 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ PRSS3 P35030 1/20 0.32
▸ NOTUM Q6P988 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
SCHEMBL16971541 0.89 F11 (0.42) F11KLKB1CYP3A4F2F10
SCHEMBL16971393 0.87 RXRA (0.36) F11KLKB1CYP3A4RXRAGRIN1
SCHEMBL16971723 0.87 F11 (0.34) F11KLKB1CYP3A4GAARXRA
SCHEMBL16971339 0.85 AR (0.33) F11KLKB1CYP3A4RXRAGRIN1
SCHEMBL26048225 0.83 F11 (0.33) F11KLKB1CYP3A4GABRA2GABRB2
SCHEMBL28239007 0.82 MAP4K4 (0.34) F11KLKB1RXRAGRIN1GRIN2B
SCHEMBL16971771 0.79 F11 (0.38) F11KLKB1CYP3A4RXRAGRIN1
SCHEMBL16971874 0.78 ALDH1A1 (0.36) NR1I2F11KLKB1CYP3A4F2
SCHEMBL16971384 0.75 NOTUM (0.38) F11KLKB1CYP3A4NOTUM
SCHEMBL16972351 0.74 F11 (0.41) 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 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
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-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-9777001-B2 Macrocycles with aromatic P2′ groups as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 — — US disclosed
US-20170096429-A1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-06 — — US disclosed
US-20170002006-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-01-05 — — 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
EP-3099686-A1 MACROCYCLES WITH AROMATIC 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-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

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 NR1I2 1553/4885F11 3/4885KLKB1 6/4885
US-20160368923-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 NR1I2 1427/4885F11 4/4885KLKB1 7/4885
US-20200055854-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 NR1I2 1553/4885F11 3/4885KLKB1 6/4885
US-12428421-B2 Pyrimidinones as factor XIA inhibitors TFPI, TFPI2, F2 NR1I2 1427/4885F11 4/4885KLKB1 7/4885
US-20170002006-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS TFPI2, F2, TFPI NR1I2 956/4885F11 5/4885KLKB1 16/4885
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 NR1I2 1427/4885F11 4/4885KLKB1 7/4885
US-20170096429-A1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 NR1I2 1101/4885F11 6/4885KLKB1 19/4885
US-10336754-B2 Pyrimidinones as factor XIa inhibitors TFPI, TFPI2, F2 NR1I2 1427/4885F11 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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