SCHEMBL16972250

SCHEMBL16972250

CCc1ccc(-n2cc(C(F)(F)F)nn2)c(-c2cc(O)ncn2)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 4/20 0.35
▸ GRIN1 Q05586 4/20 0.35
▸ GRIN2B Q13224 4/20 0.35
▸ F11 P03951 14/20 0.32
▸ KLKB1 P03952 11/20 0.32
▸ AR P10275 2/20 0.32
▸ CYP3A4 P08684 3/20 0.32
▸ F2 P00734 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ CYP1A1 P04798 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ PRSS2 P07478 1/20 0.31
▸ CYP2C8 P10632 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ PRSS3 P35030 1/20 0.31

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
SCHEMBL16971339 0.86 AR (0.33) RXRAGRIN1GRIN2BF11KLKB1
SCHEMBL16971393 0.85 RXRA (0.36) RXRAGRIN1GRIN2BF11KLKB1
SCHEMBL16971719 0.84 CFTR (0.33) RXRAGRIN1GRIN2BF11KLKB1
SCHEMBL28329473 0.84 RXRA (0.37) RXRAGRIN1GRIN2BF11KLKB1
SCHEMBL16971418 0.84 F11 (0.40) F11KLKB1CYP3A4F2F10
SCHEMBL16971437 0.83 F11 (0.33) RXRAGRIN1GRIN2BF11KLKB1
SCHEMBL16971874 0.83 ALDH1A1 (0.36) F11KLKB1CYP3A4F2F10
SCHEMBL17644828 0.82 KMO (0.36) ARCYP3A4CYP2D6
SCHEMBL16972221 0.79 RXRA (0.33) RXRAGRIN1GRIN2BF11KLKB1
SCHEMBL16971566 0.79 GABRA2 (0.36) F11KLKB1AR

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 17 patents. 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
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-20180186795-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2018-07-05 — — US disclosed
EP-3099687-B1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-07-04 — — EP 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
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

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 RXRA 4700/4885GRIN1 2591/4885GRIN2B 3080/4885
US-20160368923-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 RXRA 4646/4885GRIN1 2872/4885GRIN2B 2964/4885
US-20180186795-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 RXRA 4646/4885GRIN1 2872/4885GRIN2B 2964/4885
US-20200055854-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 RXRA 4700/4885GRIN1 2591/4885GRIN2B 3080/4885
US-12428421-B2 Pyrimidinones as factor XIA inhibitors TFPI, TFPI2, F2 RXRA 4646/4885GRIN1 2872/4885GRIN2B 2964/4885
US-20170002006-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS TFPI2, F2, TFPI RXRA 4364/4885GRIN1 4461/4885GRIN2B 3998/4885
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 RXRA 4646/4885GRIN1 2872/4885GRIN2B 2964/4885
US-10336754-B2 Pyrimidinones as factor XIa inhibitors TFPI, TFPI2, F2 RXRA 4646/4885GRIN1 2872/4885GRIN2B 2964/4885

“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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