SCHEMBL16971368

SCHEMBL16971368

Oc1cc(-c2cc(Cl)ccc2-n2cc(Cl)nn2)ncn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 15/20 0.43
▸ KLKB1 P03952 11/20 0.43
▸ NOTUM Q6P988 2/20 0.40
▸ KCNMA1 Q12791 2/20 0.36
▸ CYP3A4 P08684 2/20 0.35
▸ F2 P00734 1/20 0.34
▸ PLG P00747 1/20 0.34
▸ PLAU P00749 1/20 0.34
▸ PLAT P00750 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ F7 P08709 1/20 0.34
▸ CTRB1 P17538 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ CTRL P40313 1/20 0.34
▸ CTRB2 Q6GPI1 1/20 0.34
▸ CTRC Q99895 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34

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
SCHEMBL29479271 1.00 F11 (0.43) F11KLKB1NOTUMKCNMA1CYP3A4
SCHEMBL16971811 0.93 NOTUM (0.41) F11KLKB1NOTUMKCNMA1KCNH2
SCHEMBL16971836 0.89 NOTUM (0.38) F11KLKB1NOTUMKCNMA1KCNH2
SCHEMBL16971865 0.89 NOTUM (0.39) F11KLKB1NOTUMKCNMA1KCNH2
SCHEMBL16971474 0.88 F11 (0.38) F11KLKB1NOTUMKCNMA1KCNH2
SCHEMBL30271707 0.88 F11 (0.38) F11KLKB1NOTUMKCNMA1KCNH2
SCHEMBL16971576 0.87 NOTUM (0.41) F11KLKB1NOTUMKCNMA1CYP3A4
SCHEMBL16971848 0.87 NOTUM (0.47) F11KLKB1NOTUMKCNMA1KCNH2
SCHEMBL16971389 0.87 NOTUM (0.60) NOTUMKCNMA1KCNH2
SCHEMBL16971418 0.86 F11 (0.40) F11KLKB1NOTUMCYP3A4F2

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 129 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-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
US-20230416252-A1 PROCESS TOWARD 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 JANSSEN PHARMACEUTICA NV (BE) 2023-12-28 — — US disclosed
EP-4286372-A2 PYRIMIDINONES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2023-12-06 — — EP disclosed
CN-117120418-A Process for the preparation of compound (I) 百时美施贵宝公司 2023-11-24 — — CN 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
EP-3828186-B1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-23 — — EP disclosed
US-9453018-B2 Pyrimidinones as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-27 — — US disclosed
WO-2016053455-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-07 — — WO 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
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 (3 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 4/4885KLKB1 7/4885NOTUM 3214/4885
US-20230416252-A1 PROCESS TOWARD 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 CYP1B1, AZI2, TET1 F11 507/4885KLKB1 2342/4885NOTUM 3635/4885
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 F11 4/4885KLKB1 7/4885NOTUM 3214/4885

“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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