SCHEMBL16971771

SCHEMBL16971771

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 7/20 0.38
▸ KLK1 P06870 1/20 0.38
▸ NOTUM Q6P988 8/20 0.37
▸ AR P10275 1/20 0.36
▸ GABRA2 P47869 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ KLKB1 P03952 4/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ GRIN1 Q05586 3/20 0.33
▸ GRIN2B Q13224 3/20 0.33
▸ RXRA P19793 2/20 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
SCHEMBL16971357 0.88 F11 (0.37) F11NOTUMKLKB1GRIN1GRIN2B
SCHEMBL16974697 0.86 NOTUM (0.43) F11NOTUMGRIN1GRIN2BRXRA
SCHEMBL18710656 0.84 RXRA (0.33) F11NOTUMKLKB1GRIN1GRIN2B
SCHEMBL16972064 0.84 NOTUM (0.45) F11NOTUMGRIN1GRIN2BRXRA
SCHEMBL16972063 0.84 AR (0.38) F11KLK1NOTUMARGABRA2
SCHEMBL30271797 0.84 RXRA (0.33) F11NOTUMGRIN1GRIN2BRXRA
SCHEMBL16974539 0.84 RXRA (0.35) F11NOTUMGRIN1GRIN2BRXRA
SCHEMBL30995051 0.84 F11 (0.41) F11KLK1NOTUMARGABRA2
SCHEMBL16971962 0.84 RXRA (0.33) F11NOTUMGRIN1GRIN2BRXRA
SCHEMBL16971741 0.84 NOTUM (0.35) F11NOTUMKLKB1CYP3A4GRIN1

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 33 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
CN-108026083-B Diamide macrocycles as factor XIA inhibitors 百时美施贵宝公司 2021-08-27 — — CN disclosed
CN-108137549-B Substituted glycine derived FXIA inhibitors 百时美施贵宝公司 2021-07-20 — — CN disclosed
US-11053247-B2 Pyrimidinones as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-06 — — US disclosed
US-10899743-B2 Substituted glycine derived FXIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-01-26 — — 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-20170096429-A1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-06 — — US disclosed
WO-2017023992-A1 NOVEL SUBSTITUTED GLYCINE DERIVED FXIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-09 — — WO 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-3099686-A1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2016-12-07 — — EP disclosed
EP-3099687-A1 MACROCYCLES WITH HETROCYCLIC 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 (7 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 3/4885KLK1 16/4885NOTUM 3281/4885
US-20160368923-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 F11 4/4885KLK1 22/4885NOTUM 3214/4885
US-12428421-B2 Pyrimidinones as factor XIA inhibitors TFPI, TFPI2, F2 F11 4/4885KLK1 22/4885NOTUM 3214/4885
US-10899743-B2 Substituted glycine derived FXIA inhibitors F2, TFPI, TFPI2 F11 4/4885KLK1 20/4885NOTUM 1918/4885
US-20170002006-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS TFPI2, F2, TFPI F11 5/4885KLK1 31/4885NOTUM 3447/4885
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 F11 4/4885KLK1 22/4885NOTUM 3214/4885
US-20170096429-A1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 F11 6/4885KLK1 27/4885NOTUM 4031/4885

“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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