SCHEMBL617024

SCHEMBL617024

CC(=O)c1cc2[nH]ncc2cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.53
NOS1 P29475 3/20 0.47
DYRK1A Q13627 3/20 0.47
METAP2 P50579 2/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 2/20 0.45
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CSNK2A1 P68400 1/20 0.43
CHEK1 O14757 1/20 0.42
CASP6 P55212 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.40
MAP4K4 O95819 1/20 0.40
CLK2 P49760 1/20 0.40
SRPK1 Q96SB4 1/20 0.40

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
SCHEMBL22446038 0.85 CASP6 (0.54) AXLNOS1DYRK1AMETAP2NPC1
SCHEMBL30286390 0.83 AXL (0.56) AXLNOS1DYRK1AMETAP2NPC1
SCHEMBL18554980 0.83 AXL (0.56) AXLNOS1DYRK1AMETAP2NPC1
SCHEMBL30480705 0.81 AXL (0.46) AXLNOS1DYRK1AMETAP2NPC1
SCHEMBL616074 0.81 AXL (0.46) AXLNOS1DYRK1AMETAP2NPC1
SCHEMBL26350896 0.80 CHEK1 (0.59) AXLNPC1RAB9AROCK2ROCK1
SCHEMBL616185 0.78 AXL (0.51) AXLNOS1DYRK1AMETAP2NPC1
SCHEMBL31602581 0.76 AXL (0.53) AXLNOS1DYRK1AMETAP2NPC1
SCHEMBL26350901 0.75 MAPT (0.48) NOS1ROCK2ROCK1KDM4EMAPT
SCHEMBL767447 0.74 AXL (0.62) AXLNOS1DYRK1AMETAP2RAB9A

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 14 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
CN-107973809-B Macrocyclic compounds as factor XIA inhibitors 百时美施贵宝公司 2023-06-30 CN 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 AXL 591/4885NOS1 3314/4885DYRK1A 274/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 AXL 591/4885NOS1 3314/4885DYRK1A 274/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 AXL 591/4885NOS1 3314/4885DYRK1A 274/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 AXL 591/4885NOS1 3314/4885DYRK1A 274/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 AXL 591/4885NOS1 3314/4885DYRK1A 274/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 AXL 591/4885NOS1 3314/4885DYRK1A 274/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 AXL 591/4885NOS1 3314/4885DYRK1A 274/4885

“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.