SCHEMBL16971551

SCHEMBL16971551

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 15/20 0.55
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ P2RX7 Q99572 2/20 0.42
▸ KCNH2 Q12809 1/20 0.40
▸ KCNMA1 Q12791 1/20 0.37

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
SCHEMBL30271789 1.00 NOTUM (0.55) NOTUMKDM4EMAPTP2RX7KCNH2
SCHEMBL16971533 0.89 NOTUM (0.41) NOTUMP2RX7KCNH2KCNMA1
SCHEMBL18316524 0.87 F11 (0.37) NOTUM
SCHEMBL16972351 0.87 F11 (0.41) —
SCHEMBL16971407 0.84 F11 (0.35) NOTUMKCNH2
SCHEMBL16971384 0.84 NOTUM (0.38) NOTUMKCNH2
SCHEMBL16971389 0.84 NOTUM (0.60) NOTUMKDM4EMAPTKCNH2KCNMA1
SCHEMBL16974699 0.84 F11 (0.36) NOTUMP2RX7KCNH2
SCHEMBL16971815 0.83 F11 (0.40) NOTUMP2RX7KCNH2
SCHEMBL16971663 0.83 NOTUM (0.40) NOTUMKCNH2

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 50 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
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-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 (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-11053247-B2 Pyrimidinones as factor XIA inhibitors TFPI, TFPI2, F11 NOTUM 3281/4885KDM4E 760/4885MAPT 693/4885
US-12428421-B2 Pyrimidinones as factor XIA inhibitors TFPI, TFPI2, F2 NOTUM 3214/4885KDM4E 762/4885MAPT 675/4885
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 NOTUM 3214/4885KDM4E 762/4885MAPT 675/4885

“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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