SCHEMBL16971815

SCHEMBL16971815

COc1cc(-c2cc(Cl)ccc2-n2cc(C3CC3)nn2)ncn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 9/20 0.40
▸ KCNH2 Q12809 3/20 0.38
▸ KLK1 P06870 1/20 0.37
▸ KLKB1 P03952 4/20 0.36
▸ ALOX5AP P20292 2/20 0.35
▸ FEN1 P39748 2/20 0.35
▸ NOTUM Q6P988 1/20 0.34
▸ GABRA2 P47869 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ PLG P00747 1/20 0.33
▸ PLAU P00749 1/20 0.33
▸ PLAT P00750 1/20 0.33

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) F11KLKB1
SCHEMBL16971384 0.84 NOTUM (0.38) F11KCNH2KLKB1NOTUM
SCHEMBL18316524 0.84 F11 (0.37) F11KLKB1NOTUM
SCHEMBL16971407 0.84 F11 (0.35) F11KCNH2KLKB1NOTUM
SCHEMBL18710672 0.84 NR1I2 (0.39) F11KCNH2KLKB1NOTUM
SCHEMBL16974682 0.84 KCNH2 (0.42) F11KCNH2KLK1KLKB1NOTUM
SCHEMBL30271789 0.83 NOTUM (0.55) KCNH2NOTUMP2RX7
SCHEMBL16971533 0.83 NOTUM (0.41) F11KCNH2KLKB1NOTUMP2RX7
SCHEMBL16971551 0.83 NOTUM (0.55) KCNH2NOTUMP2RX7
SCHEMBL16971663 0.83 NOTUM (0.40) F11KCNH2KLKB1NOTUM

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-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 (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 F11 3/4885KCNH2 2864/4885KLK1 16/4885
US-20160368923-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 F11 4/4885KCNH2 2845/4885KLK1 22/4885
US-20200055854-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 F11 3/4885KCNH2 2864/4885KLK1 16/4885
US-12428421-B2 Pyrimidinones as factor XIA inhibitors TFPI, TFPI2, F2 F11 4/4885KCNH2 2845/4885KLK1 22/4885
US-20170002006-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS TFPI2, F2, TFPI F11 5/4885KCNH2 2055/4885KLK1 31/4885
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 F11 4/4885KCNH2 2845/4885KLK1 22/4885
US-20170096429-A1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 F11 6/4885KCNH2 1577/4885KLK1 27/4885
US-10336754-B2 Pyrimidinones as factor XIa inhibitors TFPI, TFPI2, F2 F11 4/4885KCNH2 2845/4885KLK1 22/4885

“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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