SCHEMBL616031

SCHEMBL616031

CNN=Cc1c(F)cc(F)cc1F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.33
RAB9A P51151 6/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 4/20 0.33
MAPT P10636 4/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.31
POLB P06746 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
SCHEMBL616030 1.00 GAA (0.33) GAARAB9AALDH1A1LMNAMAPT
SCHEMBL22925141 0.78 SMN1; SMN2 (0.50) GAARAB9AALDH1A1LMNAMAPT
SCHEMBL1191425 0.78 KDM4E (0.31) GAARAB9AALDH1A1MAPTKDM4E
SCHEMBL1191427 0.78 KDM4E (0.31) GAARAB9AALDH1A1MAPTKDM4E
SCHEMBL22925147 0.76 LMNA (0.42) GAARAB9AALDH1A1LMNAMAPT
SCHEMBL22176803 0.75 ERN1 (0.31) RAPGEF4
SCHEMBL22925150 0.74 RAB9A (0.54) GAARAB9AALDH1A1LMNAMAPT
SCHEMBL1161207 0.72 GRIN2D (0.35) ALDH1A1
SCHEMBL1161208 0.72 GRIN2D (0.35) ALDH1A1
SCHEMBL31692615 0.71 CA12 (0.31) MEN1KMT2A

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 21 patents — showing the first 20. 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-2462143-B1 3-HETEROARYLMETHYL-IMIDAZO[1,2-B]PYRIDAZIN-6-YL DERIVATIVES AS C-MET TYROSINE KINASE MODULATORS NOVARTIS AG (CH) 2013-05-29 EP disclosed
US-8389526-B2 3-heteroarylmethyl-imidazo[1,2-b]pyridazin-6-yl derivatives NOVARTIS AG (CH) 2013-03-05 US disclosed
EP-2467383-A1 HETEROCYCLIC OXIME COMPOUNDS Novartis AG (CH) 2012-06-27 EP disclosed
EP-2464649-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS AND THEIR USES TO TREAT CANCER AND INFLAMMATION Novartis AG (CH) 2012-06-20 EP disclosed
EP-2462143-A1 3-HETEROARYLMETHYL-IMIDAZO[1,2-B]PYRIDAZIN-6-YL DERIVATIVES AS C-MET TYROSINE KINASE MODULATORS Novartis AG (CH) 2012-06-13 EP disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 US disclosed
WO-2011020861-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2011-02-24 WO disclosed
WO-2011018454-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS AND THEIR USES TO TREAT CANCER AND INFLAMMATION NOVARTIS AG (CH) 2011-02-17 WO disclosed
US-20110039831-A1 3-HETEROARYLMETHYL-IMIDAZO[1,2-B]PYRIDAZIN-6-YL DERIVATIVES NOVARTIS AG (CH) 2011-02-17 US disclosed
WO-2011015652-A1 3-HETEROARYLMETHYL-IMIDAZO[1,2-B]PYRIDAZIN-6-YL DERIVATIVES AS C-MET TYROSINE KINASE MODULATORS NOVARTIS AG (CH) 2011-02-10 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 (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-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 GAA 3302/4885RAB9A 3309/4885ALDH1A1 4598/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 GAA 3302/4885RAB9A 3309/4885ALDH1A1 4598/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 GAA 3302/4885RAB9A 3309/4885ALDH1A1 4598/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 GAA 3302/4885RAB9A 3309/4885ALDH1A1 4598/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 GAA 3302/4885RAB9A 3309/4885ALDH1A1 4598/4885
US-20110039831-A1 3-HETEROARYLMETHYL-IMIDAZO[1,2-B]PYRIDAZIN-6-YL DERIVATIVES MET, ERBB2, ABL1 GAA 2802/4885RAB9A 2644/4885ALDH1A1 1000/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 GAA 3302/4885RAB9A 3309/4885ALDH1A1 4598/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 GAA 3302/4885RAB9A 3309/4885ALDH1A1 4598/4885

“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.