SCHEMBL18710656

SCHEMBL18710656

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 6/20 0.33
▸ GRIN1 Q05586 6/20 0.33
▸ GRIN2B Q13224 6/20 0.33
▸ F11 P03951 2/20 0.33
▸ NR1I2 O75469 2/20 0.32
▸ NOTUM Q6P988 3/20 0.31
▸ F2 P00734 1/20 0.31
▸ KLKB1 P03952 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
SCHEMBL16971357 0.89 F11 (0.37) RXRAGRIN1GRIN2BF11NOTUM
SCHEMBL16974697 0.87 NOTUM (0.43) RXRAGRIN1GRIN2BF11NOTUM
SCHEMBL16971884 0.86 GABRA2 (0.36) RXRAGRIN1GRIN2BF11NOTUM
SCHEMBL16972064 0.85 NOTUM (0.45) RXRAGRIN1GRIN2BF11NOTUM
SCHEMBL16974539 0.84 RXRA (0.35) RXRAGRIN1GRIN2BF11NOTUM
SCHEMBL16971741 0.84 NOTUM (0.35) RXRAGRIN1GRIN2BF11NOTUM
SCHEMBL16971771 0.84 F11 (0.38) RXRAGRIN1GRIN2BF11NOTUM
SCHEMBL16971962 0.84 RXRA (0.33) RXRAGRIN1GRIN2BF11NOTUM
SCHEMBL30271797 0.84 RXRA (0.33) RXRAGRIN1GRIN2BF11NOTUM
SCHEMBL16971854 0.84 NOTUM (0.46) RXRAGRIN1GRIN2BNOTUM

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053247-B2 Pyrimidinones as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-06 — — US disclosed
US-10676477-B2 Factor XIa macrocycle inhibitors bearing a non-aromatic P2' group BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-09 — — US 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
US-10336730-B2 Substituted glycine derived FXIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-07-02 — — US disclosed
US-10287288-B2 Factor XIa macrocyclic inhibitors bearing alkyl or cycloalkyl P2' moieties BRISTOL-MYERS SQUIBB (US) 2019-05-14 — — US disclosed
US-20180222889-A1 NOVEL SUBSTITUTED GLYCINE DERIVED FXIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-08-09 — — US disclosed
US-20180215755-A1 FACTOR XIA MACROCYCLIC INHIBITORS BEARING ALKYL OR CYCLOALKYL P2' MOIETIES BRISTOL MYERS SQUIBB CO (US) 2018-08-02 — — US disclosed
US-20180186795-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2018-07-05 — — US disclosed
US-20180141932-A1 DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-24 — — US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 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-20180141932-A1 DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 RXRA 4578/4885GRIN1 4581/4885GRIN2B 4350/4885
US-20180215755-A1 FACTOR XIA MACROCYCLIC INHIBITORS BEARING ALKYL OR CYCLOALKYL P2' MOIETIES TFPI, TFPI2, F11 RXRA 4563/4885GRIN1 4473/4885GRIN2B 4194/4885
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-10336730-B2 Substituted glycine derived FXIA inhibitors F2, TFPI, TFPI2 RXRA 4791/4885GRIN1 592/4885GRIN2B 902/4885
US-20170096429-A1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 RXRA 4183/4885GRIN1 4619/4885GRIN2B 4351/4885
US-10676477-B2 Factor XIa macrocycle inhibitors bearing a non-aromatic P2' group TFPI, TFPI2, F2 RXRA 4270/4885GRIN1 4685/4885GRIN2B 4534/4885
US-20180222889-A1 NOVEL SUBSTITUTED GLYCINE DERIVED FXIA INHIBITORS TFPI, TFPI2, F2 RXRA 4809/4885GRIN1 497/4885GRIN2B 666/4885
US-10287288-B2 Factor XIa macrocyclic inhibitors bearing alkyl or cycloalkyl P2' moieties TFPI, TFPI2, F11 RXRA 4563/4885GRIN1 4473/4885GRIN2B 4194/4885
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.

Send feedback