SCHEMBL16974539

SCHEMBL16974539

CCOc1cn(-c2ccc(Cl)c(F)c2-c2cc(OC)ncn2)nn1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 15/20 0.35
▸ GRIN1 Q05586 15/20 0.35
▸ GRIN2B Q13224 15/20 0.35
▸ NOTUM Q6P988 2/20 0.33
▸ F11 P03951 1/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ P2RX7 Q99572 1/20 0.30

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) RXRAGRIN1GRIN2BNOTUMF11
SCHEMBL16972185 0.88 RXRA (0.33) RXRAGRIN1GRIN2BNOTUMF11
Bromide SCHEMBL16974661 0.87 RXRA (0.32) RXRAGRIN1GRIN2BNOTUMF11
SCHEMBL16974697 0.86 NOTUM (0.43) RXRAGRIN1GRIN2BNOTUMF11
SCHEMBL30271670 0.85 NOTUM (0.46) RXRAGRIN1GRIN2BNOTUMP2RX7
SCHEMBL16971854 0.85 NOTUM (0.46) RXRAGRIN1GRIN2BNOTUMP2RX7
SCHEMBL18710656 0.84 RXRA (0.33) RXRAGRIN1GRIN2BNOTUMF11
SCHEMBL16972064 0.84 NOTUM (0.45) RXRAGRIN1GRIN2BNOTUMF11
SCHEMBL16971962 0.84 RXRA (0.33) RXRAGRIN1GRIN2BNOTUMF11
SCHEMBL16971741 0.84 NOTUM (0.35) RXRAGRIN1GRIN2BNOTUMF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3099686-B1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-03-11 — — EP 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
EP-3099686-A1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2016-12-07 — — EP disclosed
WO-2015116885-A1 MACROCYCLES WITH AROMATIC 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 (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-20170096429-A1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 RXRA 4183/4885GRIN1 4619/4885GRIN2B 4351/4885

“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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