SCHEMBL616404

SCHEMBL616404

FCn1cnc2c(F)cc(F)cc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRPS1 P60891 2/20 0.45
GRIN2B Q13224 5/20 0.33
ADORA2A P29274 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RAB9A P51151 1/20 0.32
KCNH2 Q12809 2/20 0.32
CYP2C9 P11712 1/20 0.31
IDO1 P14902 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PDE10A Q9Y233 2/20 0.31
PDE2A O00408 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
SCHEMBL12352525 0.74 GRIN2B (0.35) GRIN2BSMN1; SMN2KCNH2CYP2C9ALDH1A1
SCHEMBL616507 0.73 LMNA (0.40) PRPS1ADORA2AKCNH2CYP2C9IDO1
SCHEMBL2143567 0.73 PRPS1 (0.38) PRPS1ALDH1A1
SCHEMBL615032 0.69 EGLN3 (0.34) GRIN2B
SCHEMBL30390935 0.68 CYP2C9 (0.43) PRPS1ADORA2ARAB9AKCNH2CYP2C9
SCHEMBL31641849 0.66 PRPS1 (0.46) PRPS1RAB9ANPC1
SCHEMBL20987148 0.63 PRPS1 (0.49) PRPS1
SCHEMBL30885833 0.60 PDE10A (0.34) PRPS1RAB9ANPC1ALDH1A1PDE10A
SCHEMBL102290 0.60 PDE10A (0.34) SMN1; SMN2RAB9ANPC1PDE10APDE2A
SCHEMBL10147304 0.57 LMNA (0.46) GRIN2BADORA2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404274-B2 Macrocycles as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-02 US disclosed
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2023-02-23 US disclosed
US-11136327-B2 Macrocycles as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-05 US disclosed
EP-3786165-A1 SYNTHETIC INTERMEDIATES FOR PRODUCING MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2021-03-03 EP disclosed
EP-2534154-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-08-05 EP disclosed
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB (US) 2020-03-19 US disclosed
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-01-25 US disclosed
US-9802939-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-31 US disclosed
US-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-04-23 US disclosed
US-8940720-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
EP-2534154-A1 MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2012-12-19 EP disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 US disclosed
WO-2011100401-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 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 (7 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-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 PRPS1 1994/4885GRIN2B 3869/4885ADORA2A 4703/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 PRPS1 1994/4885GRIN2B 3869/4885ADORA2A 4703/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 PRPS1 1994/4885GRIN2B 3869/4885ADORA2A 4703/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 PRPS1 1994/4885GRIN2B 3869/4885ADORA2A 4703/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 PRPS1 1994/4885GRIN2B 3869/4885ADORA2A 4703/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 PRPS1 1994/4885GRIN2B 3869/4885ADORA2A 4703/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 PRPS1 1994/4885GRIN2B 3869/4885ADORA2A 4703/4885

“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.