SCHEMBL19412876

SCHEMBL19412876

CCc1c(-n2cc(Cl)nn2)ccc(Cl)c1F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 11/20 0.39
RXRA P19793 5/20 0.37
GRIN1 Q05586 5/20 0.37
GRIN2B Q13224 5/20 0.37
F11 P03951 4/20 0.35
F2 P00734 1/20 0.35
KLKB1 P03952 1/20 0.35

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
SCHEMBL19412843 0.87 NOTUM (0.53) NOTUMRXRAGRIN1GRIN2B
SCHEMBL20181225 0.85 NOTUM (0.46) NOTUMRXRAGRIN1GRIN2B
SCHEMBL18710682 0.83 NOTUM (0.44) NOTUMF11
SCHEMBL19412877 0.82 GABRA2 (0.41) NOTUMRXRAGRIN1GRIN2B
SCHEMBL23612791 0.81 NOTUM (0.34) NOTUMRXRAGRIN1GRIN2B
SCHEMBL19412818 0.81 NOTUM (0.56) NOTUMF11
SCHEMBL16982952 0.80 NOTUM (0.44) NOTUMRXRAGRIN1GRIN2BF11
SCHEMBL25196416 0.77 NOTUM (0.38) NOTUMRXRAGRIN1GRIN2BF11
SCHEMBL17661847 0.77 NOTUM (0.40) NOTUMRXRAGRIN1GRIN2BF11
SCHEMBL20181208 0.77 P2RX7 (0.35) RXRAGRIN1GRIN2BF2KLKB1

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 9 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-10287288-B2 Factor XIa macrocyclic inhibitors bearing alkyl or cycloalkyl P2' moieties BRISTOL-MYERS SQUIBB (US) 2019-05-14 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

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 NOTUM 3281/4885RXRA 4700/4885GRIN1 2591/4885
US-20180141932-A1 DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 NOTUM 3242/4885RXRA 4578/4885GRIN1 4581/4885
US-20180215755-A1 FACTOR XIA MACROCYCLIC INHIBITORS BEARING ALKYL OR CYCLOALKYL P2' MOIETIES TFPI, TFPI2, F11 NOTUM 3040/4885RXRA 4563/4885GRIN1 4473/4885
US-20180186795-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 NOTUM 3214/4885RXRA 4646/4885GRIN1 2872/4885
US-20200055854-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 NOTUM 3281/4885RXRA 4700/4885GRIN1 2591/4885
US-10676477-B2 Factor XIa macrocycle inhibitors bearing a non-aromatic P2' group TFPI, TFPI2, F2 NOTUM 2986/4885RXRA 4270/4885GRIN1 4685/4885
US-10287288-B2 Factor XIa macrocyclic inhibitors bearing alkyl or cycloalkyl P2' moieties TFPI, TFPI2, F11 NOTUM 3040/4885RXRA 4563/4885GRIN1 4473/4885
US-10336754-B2 Pyrimidinones as factor XIa inhibitors TFPI, TFPI2, F2 NOTUM 3214/4885RXRA 4646/4885GRIN1 2872/4885

“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.