SCHEMBL16971357

SCHEMBL16971357

COc1cc(-c2c(-n3cc(Cl)nn3)ccc(Cl)c2F)ncn1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 5/20 0.37
▸ RXRA P19793 9/20 0.35
▸ GRIN1 Q05586 9/20 0.35
▸ GRIN2B Q13224 9/20 0.35
▸ KLKB1 P03952 2/20 0.35
▸ F2 P00734 1/20 0.35
▸ NOTUM Q6P988 5/20 0.33
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 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
SCHEMBL16974697 0.91 NOTUM (0.43) F11RXRAGRIN1GRIN2BNOTUM
SCHEMBL30271739 0.90 NOTUM (0.40) F11RXRAGRIN1GRIN2BKLKB1
SCHEMBL16971893 0.90 NOTUM (0.40) F11RXRAGRIN1GRIN2BKLKB1
SCHEMBL18710656 0.89 RXRA (0.33) F11RXRAGRIN1GRIN2BKLKB1
SCHEMBL16972064 0.89 NOTUM (0.45) F11RXRAGRIN1GRIN2BNOTUM
SCHEMBL16971741 0.88 NOTUM (0.35) F11RXRAGRIN1GRIN2BKLKB1
SCHEMBL16971962 0.88 RXRA (0.33) F11RXRAGRIN1GRIN2BNOTUM
SCHEMBL16974539 0.88 RXRA (0.35) F11RXRAGRIN1GRIN2BNOTUM
SCHEMBL16971771 0.88 F11 (0.38) F11RXRAGRIN1GRIN2BKLKB1
SCHEMBL30271797 0.88 RXRA (0.33) F11RXRAGRIN1GRIN2BNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4737457-A1 POLYSUBSTITUTED MACROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shenzhen Salubris Pharmaceuticals Co., Ltd. (CN) 2026-05-06 — — EP disclosed
US-12428421-B2 Pyrimidinones as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-30 — — US disclosed
CN-119894901-A Polysubstituted macrocyclic compound, and preparation method and application thereof 深圳信立泰药业股份有限公司 2025-04-25 — — CN disclosed
WO-2025002297-A1 POLYSUBSTITUTED MACROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 深圳信立泰药业股份有限公司 2025-01-02 — — WO 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-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-3868753-B1 FACTOR XIA MACROCYCLIC INHIBITORS BEARING A NON-AROMATIC P2' GROUP BRISTOL MYERS SQUIBB CO (US) 2022-12-21 — — EP disclosed
EP-3868753-B1 FACTOR XIA MACROCYCLIC INHIBITORS BEARING A NON-AROMATIC P2' GROUP BRISTOL MYERS SQUIBB CO (US) 2022-12-21 — — EP disclosed
CN-114874222-A Carrying non-aromatic P2 , Novel macrocyclic form of factor XIA 百时美施贵宝公司 2022-08-09 — — CN 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-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
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 F11 4/4885RXRA 4646/4885GRIN1 2872/4885
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 F11 4/4885RXRA 4646/4885GRIN1 2872/4885

“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.

Send feedback