SCHEMBL17666326

SCHEMBL17666326

Cc1ccc(-n2cc(CF)nn2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 14/20 0.51
▸ GRIN1 Q05586 14/20 0.51
▸ GRIN2B Q13224 14/20 0.51
▸ AMY1A P0DUB6 2/20 0.49
▸ TYMS P04818 1/20 0.45
▸ NOTUM Q6P988 3/20 0.43

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
SCHEMBL16982959 0.85 NOTUM (0.54) RXRAGRIN1GRIN2BNOTUM
SCHEMBL16991671 0.81 AMY1A (0.49) RXRAGRIN1GRIN2BAMY1ATYMS
SCHEMBL17666284 0.78 LRRK2 (0.50) RXRAGRIN1GRIN2BAMY1ATYMS
SCHEMBL17666319 0.77 RXRA (0.47) RXRAGRIN1GRIN2B
SCHEMBL18456211 0.76 BCHE (0.44) RXRAGRIN1GRIN2BAMY1ATYMS
SCHEMBL17666321 0.76 RXRA (0.42) RXRAGRIN1GRIN2BAMY1ATYMS
SCHEMBL17666313 0.75 RXRA (0.40) RXRAGRIN1GRIN2BAMY1ATYMS
SCHEMBL19211476 0.73 RXRA (0.63) RXRAGRIN1GRIN2BNOTUM
SCHEMBL18456212 0.72 NOTUM (0.41) RXRAGRIN1GRIN2BAMY1ATYMS
SCHEMBL16983098 0.72 RXRA (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

For each of this compound's patents that has machine-readable text (1 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-20160096839-A1 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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